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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
3-[[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
472.60
6
4
6
115.06
7
5-[(1R)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-methoxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
486.60
6.7
3
6
104.06
7
5-[(1R)-1-[(1aR,4R,7R,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4,6,7a,7b-hexahydro-1aH-cyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
454.60
6.9
3
5
94.83
6
5-[(1S)-1-[(1aR,4R,7R,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4,6,7a,7b-hexahydro-1aH-cyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
454.60
6.9
3
5
94.83
6
5-[(1R)-1-[(1aR,4R,7R,7bS)-1,1,4,7-tetramethyl-2,3,4,5,6,7b-hexahydro-1aH-cyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
454.60
6.7
3
5
94.83
6
Curculigoside B
452.40
0.9
6
11
175.37
8
Curculigine C
535.70
-0.1
6
11
167.53
6
(1R,3aS,5aS,5bR,7aR,11aR,11bR,13aS,13bS)-9,13a-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
472.70
6.6
3
4
77.76
2
(2S,3R,4S,5S,6R)-2-[4-[2-(dimethylamino)ethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
327.37
0.4
4
7
102.62
6
[(1S,13R,16S,17S)-17-acetyloxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-16-yl] acetate
403.40
2
0
8
83.53
5
(2e,7e,9e)-N-(2-hydroxy-2-methylpropyl)-6,11-dioxo-2,7,9-dodecatrienamide
293.36
0.4
2
4
83.47
9
(1R,2R,9S,17R)-13,17-dihydroxy-3,15-dimethoxy-6,14-dimethyl-2-(3-oxo-3-phenylpropyl)-9-phenyl-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-3,6,11(16),12,14-pentaen-5-one
568.60
4.4
2
8
111.52
7
(2R,3R,12bS)-3-ethenyl-2-(2-hydroxyethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-9-ol
312.40
2.6
3
3
59.49
3
3-[[(2R,3S,4S,5R,6R)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
1033.20
1.3
12
21
341.51
16
3-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-oxopropanoic acid
1195.30
0
15
26
420.66
20
3-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-oxopropanoic acid
1033.20
2.1
12
21
341.51
17
3-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-oxopropanoic acid
1165.30
0.1
14
25
400.43
19
(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(furan-3-yl)-4a,9,10-trihydroxy-10b-methyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-4-one
514.50
-1.6
7
12
199.51
4
(1R,2S,3S,5S,8S,11R,12R)-5-(furan-3-yl)-8-hydroxy-3,11-dimethyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
536.50
-0.2
5
12
185.35
4
(2S,4aS,6aR,10S,10aS,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,10,10a-hexahydrobenzo[f]isochromene-4,7-dione
508.50
-0.6
5
11
176.12
4
[(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(furan-3-yl)-4a,10-dihydroxy-10b-methyl-4-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-9-yl] acetate
556.60
-1
6
13
205.58
6
(1S,4S,4'S)-6',6',7,8',8'-pentamethyl-4'-(2-methylpropyl)-1-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydrochromene]-5',7'-dione
450.70
7.4
0
3
43.37
3
(2S,4S)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione
386.60
6.6
0
3
43.37
6
(2R,4S)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione
386.60
6.6
0
3
43.37
6
(1'R,2R,4R,5'S)-6,6,8,8-tetramethyl-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-5,7-dione
386.60
6
0
3
43.37
3
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