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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
methyl (5Z)-5-ethylidene-4-[2-[[(2S,3R,4R,5S)-6-[[(3Z)-3-ethylidene-5-methoxycarbonyl-4-[2-oxo-2-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-4H-pyran-2-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-6-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
1073.00
-4
11
27
401.57
23
[2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] (E)-3-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
626.50
1.8
9
15
257.04
8
[(1S)-1-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-11-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]-2-methoxy-2-oxoethyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
934.90
7.9
0
19
170.94
14
N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadec-8-en-2-yl]-2-hydroxyhexadecanamide
746.10
9.5
8
10
189.17
34
(10S)-1,8,10-trihydroxy-6-methyl-10-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(9R)-4,5,9-trihydroxy-2-(hydroxymethyl)-10-oxoanthracen-9-yl]anthracen-9-one
688.60
0.8
11
14
265.9
4
4,5-dihydroxy-2-methyl-1-[(10R)-1,8,10-trihydroxy-6-methyl-9-oxo-10-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]anthracen-2-yl]anthracene-9,10-dione
640.60
2.9
8
12
222.28
2
7-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3,5-dimethoxychromen-4-one
638.60
-1.2
8
16
247.43
8
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
640.50
-2
10
17
278.66
8
6-Methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-[1,3]dioxolo[4,5-h]isochromene]-6',9'-dione
381.30
2.7
0
8
83.53
0
[(3R,5S)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[(10R,11S,12S)-13-[2-[[(2S,19S)-7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,22,23-pentahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-11-(3,4,5-trihydroxyphenoxy)-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]-3,4,5-trihydroxybenzoate
2631.80
4.9
41
73
1226.71
28
[(2R,3R,4S,5R)-3-[3,5-dihydroxy-2-[[(10R,11S,12R,13S,15R)-3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]benzoyl]oxy-6-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
1709.20
4.2
26
47
790.37
24
2-[(1S,4S,5R,6R,9S,10R,12R,14R)-6,7-bis(carboxymethyl)-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]acetic acid
460.50
0.8
4
8
149.2
6
2-[(1S,4S,5S,6R,9S,10R,12R,14R)-4-(carboxymethyl)-5-hydroxy-3,7,11,11,14-pentamethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]acetic acid
416.50
1.7
3
6
111.9
4
[(1S,4R,5R,9S,10S,12R,15S)-9,15-diacetyloxy-4-hydroxy-7,7,10,14-tetramethyl-11-oxo-16-oxapentacyclo[10.3.1.01,12.03,9.06,8]hexadec-2-en-5-yl] (E)-2-methylbut-2-enoate
516.60
1.9
1
9
128.73
7
[(1S,4R,5R,9S,10S,12R,15S)-4,9,15-triacetyloxy-7,7,10,14-tetramethyl-11-oxo-16-oxapentacyclo[10.3.1.01,12.03,9.06,8]hexadec-2-en-5-yl] 2-methylbutanoate
560.60
2.7
0
10
134.8
10
[(1S,4R,5R,9S,10S,12R,15S)-4,9,15-triacetyloxy-7,7,10,14-tetramethyl-11-oxo-16-oxapentacyclo[10.3.1.01,12.03,9.06,8]hexadec-2-en-5-yl] benzoate
580.60
2.9
0
10
134.8
9
[(1S,4R,5R,9S,10S,12R,15S)-4,9,15-triacetyloxy-7,7,10,14-tetramethyl-11-oxo-16-oxapentacyclo[10.3.1.01,12.03,9.06,8]hexadec-2-en-5-yl] (E)-2-methylbut-2-enoate
558.60
2.5
0
10
134.8
9
3-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]chromen-8-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]chromen-4-one
872.80
2.2
14
18
343.64
8
8-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-8-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
876.80
0.4
14
20
362.1
8
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
654.60
-1
9
17
267.66
8
(3R,4R,5S,6S)-6-[(2R,3S,4R,5R)-6-carboxy-2-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
698.50
-0.4
10
20
322.03
9
(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]propane-1,2,3-triol
376.40
0.4
5
7
119.61
8
methyl (E)-3-[3-hydroxy-5-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]prop-2-enoate
340.32
-0.6
5
8
136.68
5
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)-4-indol-1-yloxyoxane-2,3,5-triol
295.29
0.3
4
6
104.31
3
(2S,3R,4R)-2,3,4-trihydroxy-5-[[4-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-methylidene-8H-naphthalen-2-yl]oxy]pentanal
428.40
1.2
5
8
136.68
8
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