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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
(Cyanidin 3-O-beta-glucoside)(kaempferol 3-O-(2-O-beta-glucosyl-beta-glucoside)-7-O-beta-glucosiduronic acid) malonate
1304.10
19
34
569.39
20
Epiafzelechin-(4alpha->8)-pelargonidin 3'-glucoside
705.60
11
14
261.52
6
Afzelechin-(4alpha->8)-pelargonidin 3-O-beta-glucopyranoside
705.60
11
14
261.52
6
3-O-(beta-D-Glucopyranosyl)-soyasapogenol B
620.90
4.8
6
8
139.84
4
(+)-2,3-Dihydro-9-hydroxy-2[1-(6-sinapinoyl)beta-D-glucosyloxy-1-methylethyl]-7H-furo[3,2-g][1]benzopyran-7-one
630.60
1.7
5
14
203.81
10
5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol
486.70
6.2
2
4
58.92
5
Chakaflavonoside A
1067.00
-2.3
15
27
429.89
16
Chakasaponin I
1217.30
1
13
26
406.5
16
(2S,3S,4S,5R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(E)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1273.40
1.2
14
27
426.73
17
Chakasaponin V
1287.40
1.6
14
27
426.73
17
Cichorioside D
570.60
-2.9
6
13
201.67
6
Cichorioside I
440.40
-2.2
5
10
162.98
4
Cichorioside J
452.50
-2
5
10
155.14
5
Cichorioside K
438.40
-2.4
5
10
155.14
5
Cichorioside N
426.50
0.7
5
8
136.68
5
Floratheasaponin E
1287.40
1.6
14
27
426.73
17
Floratheasaponin F
1289.40
1.8
14
27
426.73
18
(4R)-4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-one
554.60
2.7
5
10
155.14
11
Operculin VII
1337.70
10.4
9
25
353.27
33
Theasaponin A2
1233.30
-0.8
14
27
426.73
17
Theasaponin A3
1275.40
-0.2
13
28
432.8
19
Theasaponin C1
1175.30
0.3
14
25
400.43
15
Theasaponin E6
1189.30
-1
14
26
417.5
15
Theasaponin E8
1231.30
-0.4
13
27
423.57
17
Theasaponin E9
1273.40
-0.4
12
28
429.64
19
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