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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
(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1121.20
-1.5
15
25
411.43
13
8beta-(4'-Hydroxytigloyloxy)costunolide
346.40
2.4
1
5
72.83
4
8 beta-(4-Acetoxy-5-hydroxytigloyloxy)costunolide
404.50
1.7
1
7
99.13
7
(1R,4S,5R,9S,10R,13S)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
304.50
3.9
2
2
40.46
1
(1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
302.50
3.7
1
2
37.3
1
6,7-dihydroxy-3-methoxy-8-[2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]chromen-2-one
530.40
0.8
6
13
209.49
5
(2S,3S)-2-[3,5-dimethoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
548.50
0.3
5
13
186.74
7
dimethyl (2Z,3Z)-2,3-bis(1,3-benzodioxol-4-ylmethylidene)butanedioate
410.40
3.8
0
8
89.52
7
4-(6-Ethoxycarbonyl-2,3-dihydroxy-4-methoxyphenoxy)-3,5-dihydroxybenzoic acid
380.30
1.7
5
10
162.98
7
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
616.50
1
10
16
277.27
7
Tectorigenin 7-O-xylosylglucoside
594.50
-1.2
8
15
238.2
7
(1R,3S,5R,10S,14S,15S,18S)-15-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-en-7-one
484.70
4.1
1
5
71.59
2
(5R,7R,8R,9R,10R,13S,17S)-17-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one
486.70
4.5
2
5
79.29
2
[(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] acetate
528.50
1.8
0
10
130.87
3
NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid
486.70
7.6
3
5
94.83
3
(1R,5R,6S,8R,9S,12S,13S)-3-amino-5,8,12,13-tetrahydroxy-8-(hydroxymethyl)-10-oxa-2,4-diazatricyclo[7.3.1.01,6]tridec-3-en-11-one
303.27
-4.6
7
8
177.86
1
[(1S,2S,3R,5S,8R,9R,10R,11S,12S)-2,9,10-triacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadecanyl] (E)-3-phenylprop-2-enoate
624.70
4
1
10
142.5
10
2-[(2S,4aS,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
222.37
3.5
1
1
20.23
1
(1S,3S,5S,10S,13R,17S,18S,20R)-5-hydroxy-9,9,16-trimethyl-18-(2-methylprop-1-enyl)-20-propan-2-yl-19-oxahexacyclo[11.5.3.01,20.03,13.03,17.05,10]henicos-15-ene-2,21-dione
466.70
4.9
1
4
66.9
2
[(1S,2S,5S,8R,9R,10R)-2,9-diacetyloxy-1,5-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-10-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
492.60
0.8
2
9
136.43
6
[(2R)-2,3-dihydroxypropyl] (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
310.40
4
2
4
66.76
11
[(2S)-2-acetyloxy-3-hydroxypropyl] (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
352.50
4.5
1
5
72.83
13
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2S,3R)-3-hydroxy-4-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
442.60
4.8
2
4
70.06
4
[(2R,3S)-3-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl] acetate
484.70
5.4
1
5
76.13
6
[(2R,3S)-3-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl] 3-methylsulfanyl-3-oxopropanoate
558.80
6
1
7
118.5
9
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