Bioactive Compounds V

Fig 1: Topological Characteristics of Tannic acid

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	62
Aliphatic bound count	72
Aromatic atom count	60
Aromatic bond count	60
Asymmetric atom coun	5
Chain atom count	56
Chain bond count	66
Chiral center count	5
Ring atom count	66
Ring bond count	66
Rotatable bond count	31
Stereo double bond count	0
Aliphatic ring count	1
Aromatic ring count	10
Carbo ring count	10
Carboaliphatic ring count	0
Carboaromatic ring count	10
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	0
Hetero ring count	1
Heteroaliphatic ring count	1
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	1
Ring count	11
Ring system count	11
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	11
Fragment count	1

Fig 2: Topological Characteristics of Catechin

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	9
Aliphatic bound count	11
Aromatic atom count	12
Aromatic bond count	12
Asymmetric atom coun	2
Chain atom count	5
Chain bond count	6
Chiral center count	2
Ring atom count	16
Ring bond count	17
Rotatable bond count	1
Stereo double bond count	0
Aliphatic ring count	1
Aromatic ring count	2
Carbo ring count	0
Carboaliphatic ring count	2
Carboaromatic ring count	0
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	2
Hetero ring count	1
Heteroaliphatic ring count	1
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	2
Ring count	3
Ring system count	2
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	3
Fragment count	1

Fig 3: Topological Characteristics of Gallic Acid

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	6
Aliphatic bound count	6
Aromatic atom count	6
Aromatic bond count	6
Asymmetric atom coun	0
Chain atom count	6
Chain bond count	6
Chiral center count	0
Ring atom count	6
Ring bond count	6
Rotatable bond count	1
Stereo double bond count	0
Aliphatic ring count	0
Aromatic ring count	1
Carbo ring count	1
Carbo aliphatic ring count	0
Carboaromatic ring count	1
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	0
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	1
Ring count	1
Ring system count	1
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	1
Fragment count	1

Fig 4: Topological Characteristics of Cinnamic acid

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	5
Aliphatic bound count	5
Aromatic atom count	6
Aromatic bond count	6
Asymmetric atom coun	0
Chain atom count	5
Chain bond count	5
Chiral center count	0
Ring atom count	6
Ring bond count	6
Rotatable bond count	2
Stereo double bond count	1
Aliphatic ring count	0
Aromatic ring count	1
Carbo ring count	1
Carboaliphatic ring count	0
Carboaromatic ring count	1
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	0
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	1
Ring count	1
Ring system count	1
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	1
Fragment count	1

Fig 5: Topological Characteristics of  p coumaric acid

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	6
Aliphatic bound count	6
Aromatic atom count	6
Aromatic bond count	6
Asymmetric atom coun	0
Chain atom count	6
Chain bond count	6
Chiral center count	0
Ring atom count	6
Ring bond count	6
Rotatable bond count	2
Stereo double bond count	1
Aliphatic ring count	0
Aromatic ring count	1
Carbo ring count	1
Carboaliphatic ring count	0
Carboaromatic ring count	1
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	0
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	1
Ring count	1
Ring system count	6
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	1
Fragment count	1

Fig 6: Topological Characteristics of Gallocatechin gallate

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	15
Aliphatic bound count	18
Aromatic atom count	18
Aromatic bond count	18
Asymmetric atom coun	2
Chain atom count	11
Chain bond count	13
Chiral center count	2
Ring atom count	22
Ring bond count	23
Rotatable bond count	4
Stereo double bond count	0
Aliphatic ring count	1
Aromatic ring count	3
Carbo ring count	3
Carboaliphatic ring count	0
Carboaromatic ring count	3
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	2
Hetero ring count	1
Heteroaliphatic ring count	1
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	2
Ring count	4
Ring system count	3
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	4
Fragment count	1

Fig 7: Topological Characteristics of Quercetin

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	6
Aliphatic bound count	7
Aromatic atom count	16
Aromatic bond count	17
Asymmetric atom coun	0
Chain atom count	6
Chain bond count	7
Chiral center count	0
Ring atom count	16
Ring bond count	17
Rotatable bond count	1
Stereo double bond count	0
Aliphatic ring count	0
Aromatic ring count	2
Carbo ring count	3
Carboaliphatic ring count	0
Carboaromatic ring count	2
Fused aliphatic ring count	0
Fused aromatic ring count	2
Fused ring count	2
Hetero ring count	1
Heteroaliphatic ring count	0
Heteroaromatic ring count	1
Largest ring size	6
Largest ring system size	2
Ring count	3
Ring system count	2
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	3
Fragment count	1

Fig 8: Topological Characteristics of Ferulic acid

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	8
Aliphatic bound count	8
Aromatic atom count	6
Aromatic bond count	6
Asymmetric atom coun	0
Chain atom count	8
Chain bond count	8
Chiral center count	0
Ring atom count	6
Ring bond count	6
Rotatable bond count	3
Stereo double bond count	1
Aliphatic ring count	0
Aromatic ring count	1
Carbo ring count	1
Carboaliphatic ring count	0
Carboaromatic ring count	1
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	0
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	1
Ring count	1
Ring system count	6
Smallest ring size	1
Smallest ring system size	6
Cyclomatic number	1
Fragment count	1

Fig 9: Topological Characteristics of Trans-α carotene

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	40
Aliphatic bound count	41
Aromatic atom count	0
Aromatic bond count	0
Asymmetric atom coun	1
Chain atom count	28
Chain bond count	29
Chiral center count	1
Ring atom count	12
Ring bond count	12
Rotatable bond count	10
Stereo double bond count	9
Aliphatic ring count	2
Aromatic ring count	0
Carbo ring count	2
Carboaliphatic ring count	2
Carboaromatic ring count	0
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	0
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	1
Ring count	2
Ring system count	2
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	2
Fragment count	1

Fig 10: Topological Characteristics of Trans-β carotene

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	40
Aliphatic bound count	41
Aromatic atom count	0
Aromatic bond count	0
Asymmetric atom coun	0
Chain atom count	28
Chain bond count	29
Chiral center count	0
Ring atom count	12
Ring bond count	12
Rotatable bond count	10
Stereo double bond count	0
Aliphatic ring count	2
Aromatic ring count	0
Carbo ring count	2
Carboaliphatic ring count	2
Carboaromatic ring count	0
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	0
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	1
Ring count	2
Ring system count	2
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	2
Fragment count	1

Fig 11: Topological Characteristics of Violaxanthin

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	44
Aliphatic bound count	47
Aromatic atom count	0
Aromatic bond count	0
Asymmetric atom coun	6
Chain atom count	30
Chain bond count	31
Chiral center count	6
Ring atom count	14
Ring bond count	16
Rotatable bond count	10
Stereo double bond count	9
Aliphatic ring count	4
Aromatic ring count	0
Carbo ring count	2
Carboaliphatic ring count	2
Carboaromatic ring count	0
Fused aliphatic ring count	4
Fused aromatic ring count	0
Fused ring count	4
Hetero ring count	4
Heteroaliphatic ring count	2
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	4
Ring count	2
Ring system count	2
Smallest ring size	3
Smallest ring system size	2
Cyclomatic number	4
Fragment count	1

Fig 12: Topological Characteristics of Cryptoxanthin

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	41
Aliphatic bound count	42
Aromatic atom count	0
Aromatic bond count	0
Asymmetric atom coun	1
Chain atom count	29
Chain bond count	30
Chiral center count	1
Ring atom count	12
Ring bond count	12
Rotatable bond count	10
Stereo double bond count	9
Aliphatic ring count	2
Aromatic ring count	0
Carbo ring count	2
Carboaliphatic ring count	2
Carboaromatic ring count	0
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	0
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	1
Ring count	2
Ring system count	2
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	2
Fragment count	1

Fig 13: Topological Characteristics of Serotonin

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	4
Aliphatic bound count	4
Aromatic atom count	9
Aromatic bond count	10
Asymmetric atom coun	0
Chain atom count	4
Chain bond count	4
Chiral center count	0
Ring atom count	9
Ring bond count	10
Rotatable bond count	2
Stereo double bond count	0
Aliphatic ring count	0
Aromatic ring count	2
Carbo ring count	1
Carboaliphatic ring count	0
Carboaromatic ring count	1
Fused aliphatic ring count	0
Fused aromatic ring count	2
Fused ring count	2
Hetero ring count	1
Heteroaliphatic ring count	0
Heteroaromatic ring count	1
Largest ring size	6
Largest ring system size	2
Ring count	2
Ring system count	1
Smallest ring size	5
Smallest ring system size	2
Cyclomatic number	2
Fragment count	1

Fig 14: Topological Characteristics of Dopamine

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	5
Aliphatic bound count	5
Aromatic atom count	6
Aromatic bond count	6
Asymmetric atom coun	0
Chain atom count	5
Chain bond count	5
Chiral center count	0
Ring atom count	6
Ring bond count	6
Rotatable bond count	2
Stereo double bond count	0
Aliphatic ring count	0
Aromatic ring count	1
Carbo ring count	1
Carboaliphatic ring count	0
Carboaromatic ring count	1
Fused aliphatic ring count	0
Fused aromatic ring count	0
Fused ring count	0
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	1
Ring count	1
Ring system count	1
Smallest ring size	6
Smallest ring system size	1
Cyclomatic number	1
Fragment count	1

Fig 15: Topological Characteristics of β-Sitosterol

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	30
Aliphatic bound count	33
Aromatic atom count	0
Aromatic bond count	0
Asymmetric atom coun	9
Chain atom count	13
Chain bond count	13
Chiral center count	9
Ring atom count	17
Ring bond count	20
Rotatable bond count	6
Stereo double bond count	0
Aliphatic ring count	4
Aromatic ring count	0
Carbo ring count	4
Carboaliphatic ring count	4
Carboaromatic ring count	0
Fused aliphatic ring count	4
Fused aromatic ring count	0
Fused ring count	4
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	4
Ring count	4
Ring system count	1
Smallest ring size	5
Smallest ring system size	4
Cyclomatic number	4
Fragment count	1

Fig 16: Topological Characteristics of Campesterol

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	29
Aliphatic bound count	32
Aromatic atom count	0
Aromatic bond count	0
Asymmetric atom coun	9
Chain atom count	12
Chain bond count	12
Chiral center count	9
Ring atom count	17
Ring bond count	20
Rotatable bond count	20
Stereo double bond count	5
Aliphatic ring count	0
Aromatic ring count	4
Carbo ring count	0
Carboaliphatic ring count	4
Carboaromatic ring count	0
Fused aliphatic ring count	4
Fused aromatic ring count	0
Fused ring count	4
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	4
Ring count	4
Ring system count	1
Smallest ring size	5
Smallest ring system size	4
Cyclomatic number	4
Fragment count	1

Fig 17: Topological Characteristics of stigmasterol

Topological Characteristics of Bioactive Compounds	Value
Aliphatic atom count	30
Aliphatic bound count	33
Aromatic atom count	0
Aromatic bond count	0
Asymmetric atom coun	9
Chain atom count	13
Chain bond count	13
Chiral center count	9
Ring atom count	17
Ring bond count	20
Rotatable bond count	5
Stereo double bond count	14
Aliphatic ring count	0
Aromatic ring count	4
Carbo ring count	4
Carboaliphatic ring count	0
Carboaromatic ring count	4
Fused aliphatic ring count	0
Fused aromatic ring count	4
Fused ring count	4
Hetero ring count	0
Heteroaliphatic ring count	0
Heteroaromatic ring count	0
Largest ring size	6
Largest ring system size	4
Ring count	4
Ring system count	1
Smallest ring size	5
Smallest ring system size	4
Cyclomatic number	4
Fragment count	1

Reference: Marvin Sketch Software