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Table 1 Molecular formula, chemical structure and some pharmacokinetic parameters of some garlic -derived organosulfursa

From: A review on the effect of garlic on diabetes, BDNF, and VEGF as a potential treatment for diabetic retinopathy

OSCs

MF

ChS

RT (min)

HIA%

BBBP

pKa1 (acidic)

pKa2 (basic)

RB

TPSA

Tm

TE

S-allyl-l-cysteine

C6H11NO2S

3.93

81.972

No

2.53

9.14

5

88.62

7.758

6.222

Alliin

C6H11NO3S

3.71

73.041

No

1.84

8.45

5

99.60

8.386

11.192

Diallyl disulfide

C6H10S2

16.68

98.169

Yes

b

b

5

50.60

6.75

3.512

E-Ajoene

C9H14OS3

7.46

99.314

No

14.9

b

8

86.88

16.744

10.291

Z-Ajoene

C9H14OS3

7.41

99.314

No

14.9

b

8

86.88

13.945

10.421

Diallyl sulfide

C6H10S

9.71

100.000

Yes

b

b

4

25.30

6.067

3.223

Allicin

C6H10OS2

5.06

98.312

Yes

b

b

5

61.58

6.92

6.924

Diallyl Trisulfide

C6H10S3

25.6

98.996

Yes

b

b

6

75.90

8.334

3.549

  1. BBBP blood–brain barrier permeation, ChS chemical structure, HIA human gastrointestinal absorption, MF molecular formula, OSCs organosulfur compound, RB Rotatable bonds, RT Retention time, TE topographic electronic descriptor, Tm total size index/weighted by mass, TPSA topological polar surface area
  2. aFor more information please see the work by Ramirez et al.[12]
  3. bNon-ionizable compound