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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
[(2S,3R,4R,5R,6S)-2-[3-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 2-methylpropanoate
706.60
1.6
7
17
261.34
11
2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
492.40
1
6
12
188.51
6
(4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2-[2-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]ethyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaenal
584.90
9.8
2
3
57.53
12
5,7-Dihydroxy-3-[3-(3-hydroxy-3-methylbut-1-enyl)-4,5-dimethoxyphenyl]chromen-4-one
398.40
3.3
3
7
109.36
5
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
535.70
1.6
0
9
92.76
10
(2S)-7-hydroxy-2-[8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethylchromen-6-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
474.60
6.3
2
5
75.99
6
[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] (1R,2R,4aS,6aS,6aS,6bR,8aR,9R,10R,11R,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
652.80
1.6
8
11
197.37
4
(2R,3R,4S,5S,6R)-2-[(2R)-2-ethenyl-2-hydroxy-6-methylhept-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
332.39
0.1
5
7
119.61
8
(2R,3R,4R,5S,6S)-6-[[(3S,4aR,6aR,6bS,8aR,9S,11S,12aS,14aR,14bR)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3S,4R,5R,6R)-6-carboxy-4,5-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
1013.10
2.9
10
21
335.19
11
3-(Furan-3-yl)-7,19-dihydroxy-4,17,17,22-tetramethyl-2,9,13,21-tetraoxahexacyclo[12.7.1.01,6.04,12.07,12.018,22]docosane-10,16,20-trione
502.50
0.2
2
10
141.73
1
N-[(1S)-1-[(6S,8S,11R,12S,14R,15S,16R)-6-(dimethylamino)-14-hydroxy-7,7,12,16-tetramethyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]ethyl]formamide
428.60
5
2
3
52.57
3
[(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(Z,2S)-6-methylhept-3-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
468.80
9.1
0
2
26.3
6
[(3S,5S,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(Z,2S)-6-methylhept-3-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
468.80
9.1
0
2
26.3
6
(4R,5R,6R)-5-[(4R,7R,8S,10R,11R)-8,10-dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethylcyclohex-2-en-1-one
440.70
4.7
4
5
97.99
14
2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[[4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
614.80
1.6
7
11
178.53
9
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
614.80
1.6
7
11
178.53
9
7-[(2R,3R)-2,3-dihydroxy-4-[(2R,4R)-4-hydroxy-4-methyl-5-oxooxolan-2-yl]-3-methylbutoxy]chromen-2-one
378.40
0.8
3
8
126.43
6
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate
846.80
2.7
1
20
250.48
19
[(2R,3S,4R,5S,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate
846.80
2.7
1
20
250.48
19
(2S,3R,4R)-3-hydroxy-4-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methylpentanoic acid
642.80
3.1
5
11
164.37
8
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aS,9R,10R,11R,12aS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydro-1H-picene-4a-carboxylate
648.80
3.5
7
10
177.14
5
(1R,2S,3R,4S,5R,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-1,2,3-triol
444.70
6.6
3
3
60.69
4
(1S,3S,4R,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]peroxy-1-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]peroxycyclohexane-1-carboxylic acid
724.60
3.9
7
17
265.27
16
13-Ethylidene-6-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-one
336.40
1.9
0
4
32.78
1
(4aR,5R,6R,7R,8aR)-7-[[(2S,3S,4S,4aS,8aS)-3,4-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-7-oxo-2,3,4a,8-tetrahydro-1H-naphthalen-2-yl]methyl]-5,6-dihydroxy-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-4a,6,7,8-tetrahydro-1H-naphthalen-2-one
548.70
1.3
6
8
155.52
4
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