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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
6beta-Hydroxyarjunic acid
504.70
3.8
5
6
118.22
1
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-N,N-diethyl-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxamide
509.80
7.8
0
2
37.38
3
(1R,2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2-acetyloxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
514.70
6.5
2
5
83.83
3
(3S,4R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-ethenyl-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
518.50
-2.8
7
14
214.06
7
5-hydroxy-8-(3-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
518.50
1.4
7
11
190.28
7
Uvsuzwkqqlmvqv-ctskxohzsa-
520.60
2
1
9
125.43
8
Diacetyl benzoyl lathyrol
522.60
5.6
0
7
95.97
7
[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-17-acetyl-11-acetyloxy-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] benzoate
526.60
2.2
3
8
130.36
6
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
534.50
-2.7
8
14
217.22
10
(1R,2R,3S,3aR,8bS)-8b-ethoxy-1-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N-methyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
535.60
3.2
3
8
115.71
8
[(1R,2R,3S,4S,4aS,5R,8R,8aR)-4-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-8-formyl-1-hydroxy-3,4,8a-trimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl] (E)-3-phenylprop-2-enoate
540.60
4.1
1
8
108.36
8
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
552.50
0.6
6
13
201.67
9
[(3R,8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-1-oxo-3,4,7,8,9,11,12,14,15,16-decahydro-2H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
554.70
2
3
9
151.27
4
6,20,25-Trimethoxy-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-1(30),3(35),4,6,8,10,12(34),14,18,20,22(33),24,26,31-tetradecaene-9,21-diol
576.60
5
2
8
102.1
3
[(1S,2S,3R,5S,8R,9R,10R)-2,9-diacetyloxy-1,10-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
580.70
2.8
2
9
136.43
8
methyl (E)-3-[(1S,2R,4S,7S,8S,11R,12S,16S,17R,18S)-17,18-diacetyloxy-7-(furan-3-yl)-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate
586.60
2.9
0
11
140.1
8
(1S,3R,9R,11R)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
602.80
8.9
2
6
100.9
8
3-O-p-Coumaroyloleanolic acid
602.80
9.8
2
5
83.83
5
(2S)-2-Methyl-4-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one
624.90
9.9
4
7
116.45
28
(5S)-3-[(13R)-13-Hydroxy-13-[(2R,2a(2)R,5R,5a(2)R)-octahydro-5a(2)-[(1S,5S,6R)-1,5,6-trihydroxyundecyl][2,2a(2)-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone
638.90
8.4
4
8
125.68
25
2,4,4-Trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
564.80
11.4
0
2
34.14
10
[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17,19-diacetyloxy-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] benzoate
648.70
4.3
1
10
130.73
8
(2R)-2-[(1R)-1-hydroxy-1-[(3R,8R,9S,10R,13R,14R,17S)-14-hydroxy-10,13-dimethyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
650.80
0
7
12
203.44
6
[(1R,2R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-19-acetyloxy-8-(furan-3-yl)-1,9,11,16-tetramethyl-17-(2-methylpropanoyloxy)-4-oxo-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate
652.80
5
0
10
127.57
9
Esulatin A
724.80
2.6
0
15
196.63
15
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