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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
Gemichalcone A
516.50
6.1
4
8
133.52
11
[(1R,3E,5R,7S,10Z,12S,13S,14S)-1-acetyloxy-10-(acetyloxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] hexanoate
516.70
5.5
0
7
95.97
11
Gorgosterol
426.70
8.9
1
1
20.23
4
[(9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] benzoate
520.60
6.2
0
8
81.68
7
(6aS,11aS)-2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
522.50
6.2
2
7
90.52
5
Claussequinone
286.28
1.6
1
5
72.83
2
Celahin C
532.60
2.6
1
10
134.66
10
Dehydro-beta-carotene
534.90
13.3
0
0
0
9
1,2,24,24-Tetramethyl-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraene-15,16-diol
535.70
4
3
6
96.47
1
(10-Hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl) benzoate
536.60
5
1
9
101.91
7
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
536.70
0.9
5
9
145.91
3
(2Z)-2-[(2Z)-1,2-bis(3,4-dihydroxyphenyl)-2-(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)ethylidene]-6-hydroxy-1-benzofuran-3-one
538.50
5.3
6
10
173.98
3
2(4-Hydroxyphenyl)ethyl triacontanoate
572.90
16.6
1
3
46.53
32
Cimicifugoside H-4
576.70
0.8
6
9
156.91
2
(E)-1-[2,4-dihydroxy-3-[(E,1S,5R)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
582.60
6.8
6
8
147.68
12
(1S,2S,4R,5R,6R,9R,10S,11R,12R,16R,18S,21R)-2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-one
592.70
-0.2
7
10
177.14
2
[(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
602.90
11.6
1
4
55.76
5
(2S)-4-[(13R,15R)-13,15-dihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
608.90
11.6
3
6
96.22
28
alpha-D-glucopyranose, 4,6-O-(phenylmethylene)-
268.26
-0.7
3
6
88.38
1
[(1S,6S,7S,14S,15R,16S)-14-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-3-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate
614.70
0.1
5
13
190.67
7
Prosaikogenin A
618.80
4.1
6
8
139.84
4
(5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-2(5H)-furanone
638.90
8.2
4
8
125.68
24
beta-Hydroxyacteoside
640.60
-1.6
10
16
265.52
11
CID 10009558
658.90
8.1
2
6
96.36
12
dimethyl (3S,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-12-hydroxy-4,6a,6b,11,12,14b-hexamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
662.80
3.8
4
10
151.98
6
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