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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
Crithmumdiol
262.40
4.6
2
2
40.46
9
7-[(2E,6Z)-5,8-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
398.50
4.9
2
5
79.9
9
Isogenistein 7-glucoside
432.40
0.9
6
10
170.05
4
Daidzein 4',7-diglucoside
578.50
-1.1
8
14
228.97
7
Isodactylifric acid
336.29
0.2
5
8
144.52
5
[2-[[6-[2-[(2E,6Z,10E)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl] (2Z,6Z,10Z)-4-hydroxy-2,6,10,14-tetramethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoate
1565.80
0.9
19
33
521.43
40
{[(e)-(3-Hydroxy-3-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene)amino]oxy}sulfonic acid
405.40
-1.4
6
12
220.02
8
Mangicrocin
894.90
3.3
11
19
323.8
15
2,3-Dihydrowithanolide E
488.60
1.6
3
7
116.59
2
Withaperuvin H
578.70
0.8
5
10
179.05
2
2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
428.60
5.7
0
5
69.67
8
2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
442.60
6.4
0
5
69.67
9
Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside)
696.60
2.1
11
17
301.43
10
beta-D-Galactopyranoside, (2alpha,3beta,5alpha,25R)-26-(beta-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl O-beta-D-glucopyranosyl-(1-->3)-O-[O-beta-D-glucopyranosyl-(1-->3)-beta-D-glucopyranosyl-(1-->2)]-O-beta-D-glucopyranosyl-(1-->4)-
1423.50
-5.6
22
35
565.05
22
(3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside
293.27
-3.8
6
9
163.63
6
Albanin B
436.50
4.5
4
7
120.36
4
Monardein
913.80
10
22
363.56
19
Falcarindiol 3-acetate
302.40
4.9
1
3
46.53
11
(3beta,4alpha,5alpha,24(28)Z)-4,14-Dimethylstigmasta-9(11),24(28)-dien-3-ol
440.70
9.6
1
1
20.23
5
DELTA3,5-Deoxytigogenin
396.60
6.9
0
2
18.46
0
3beta-Ergosta-5,23-dien-3-ol
398.70
8.3
1
1
20.23
4
9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
424.40
-0.8
5
10
159.05
4
(3I(2),5I+/-)-3-[[2-O-(6-Deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-22,26-epoxy-26-hydroxycholest-7-en-6-one
738.90
2.3
7
13
204.83
7
(3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8(14),24(28)-dien-3-ol
426.70
8.7
1
1
20.23
5
Ginsenoside III
961.10
1.1
12
19
315.21
14
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