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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
[(1R,2S,3R,6S,7S,9S,10S,11S,12R,13S,14R)-3,6,9,11,13,14-hexahydroxy-2-methoxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
523.60
-1.1
7
10
181.93
5
[(1R,2S,3R,4S,6S,7S,9S,10S,11S,12R,13S,14R)-3,4,6,9,11,13,14-heptahydroxy-2-methoxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
539.60
-2.1
8
11
202.16
5
[(1R,2R,5R,6S,7S,8S,10S,12R)-2,6,8,10,12-pentahydroxy-3,7-dimethyl-11-methylidene-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-5-yl] 1H-pyrrole-2-carboxylate
489.50
-1.9
6
9
169.54
4
[(1R,2R,3S,4S,6S,7R,9S,10S,11S,12S,13R,14S)-2,4,6,9,11,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
493.50
-0.4
7
9
172.7
4
[(1R,2R,4S,6S,7S,9S,10S,11S,12R,13S,14R)-2,4,6,9,11,13,14-heptahydroxy-7,10-dimethyl-3-methylidene-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
507.50
-2.2
8
10
192.93
4
[(1R,2R,3S,6S,7S,9S,10S,11S,12R,13S,14R)-2,3,6,9,11,13,14-heptahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
509.50
-1.7
8
10
192.93
4
[(1R,2R,3R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
509.50
-1.1
8
10
192.93
5
[(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadec-3-en-12-yl] 1H-pyrrole-2-carboxylate
507.50
-1.9
8
10
192.93
5
[(1S,2S,3R,4S,5S,7S,9R,10R,12R,15S,16R,17S)-4,9,15-triacetyloxy-3-benzoyloxy-5,10-dihydroxy-2,6,6,12-tetramethyl-11,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadecan-17-yl] benzoate
738.80
4.1
2
14
190.42
12
[(10S,11S,12S)-12-acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
497.60
4.9
0
7
74.3
8
(1S,12S)-7-prop-1-en-2-yl-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),7,13(18),14,16-heptaene-1,16-diol
336.30
3.4
2
5
72.06
1
(1R,12R)-7-prop-1-en-2-yl-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),7,13(18),14,16-heptaene-1,16-diol
336.30
3.4
2
5
72.06
1
1-[(1S,12S)-1,16-dihydroxy-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),7,13(18),14,16-heptaen-7-yl]ethanone
338.30
2
2
6
89.13
1
1-[(1R,12R)-1,16-dihydroxy-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),7,13(18),14,16-heptaen-7-yl]ethanone
338.30
2
2
6
89.13
1
(1S,2S,4aS,5R,6R,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol
324.50
3.6
3
3
60.69
4
Passibiflorin
433.40
-3.4
7
12
202.32
5
4-[[4-[[4-(Hydroxymethyl)phenoxy]methyl]phenoxy]methyl]phenol
336.40
3.6
2
4
58.92
7
[(1S,1'R,3'R,4R,4'R,5S,5'R,6'R,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
660.80
3.9
3
10
136.44
4
methyl (1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
446.40
-2.2
5
12
181.44
8
methyl (1S,2S,4S,5R,6S,7S)-5-hydroxy-5-(hydroxymethyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-10-carboxylate
420.40
-3.6
6
12
187.9
6
methyl (1S,2S,4S,5S,6S,7S)-4'-(4-hydroxy-3-methoxybenzoyl)-5'-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5,2'-furan]-10-carboxylate
592.50
-1.1
5
15
220.27
8
[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
756.70
-2
11
19
304.21
13
[(2R,3R,4S,5R,6R)-2-(acetyloxymethyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
798.70
-1.5
10
20
310.28
15
[(2R,3R,4S,5R,6R)-2-(acetyloxymethyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
828.80
-1.5
11
21
330.51
16
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate
462.40
-2
7
13
204.83
8
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