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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,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
786.70
1
10
19
304.96
11
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
800.70
1.3
9
19
293.96
12
(5R)-5-[(3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]hexan-3-one
484.80
9.5
1
2
37.3
4
(3R,5S)-5-[(1R,4R,5S,8R,9S,12R,13S,16S,21R)-5,12,13,17,17-pentamethyl-8-hexacyclo[11.9.0.01,21.04,12.05,9.016,21]docosanyl]hexan-3-ol
468.80
11.2
1
1
20.23
4
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[[(1R,5R,10R,13R,14S,17R,19S,22R)-7,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricos-3-enyl]oxy]oxolane-3,4-diol
586.80
7.2
4
6
99.38
4
(E,6R)-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
456.70
7.6
2
3
57.53
5
(2S)-2-amino-5-[[(1R)-2-carboxy-1-phenylethyl]amino]-5-oxopentanoic acid
294.30
-2.7
4
6
129.72
8
2,7,9-Trihydroxy-3-methoxy-4-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
358.30
4.3
3
7
105.45
3
(1S,2S,5S,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol
238.37
2.6
1
2
29.46
0
methyl (Z)-3-[4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]prop-2-enoate
262.30
2.4
1
4
55.76
7
[2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,6-dihydroxyphenyl]-(4-hydroxyphenyl)methanone
554.50
-1.1
9
14
236.06
7
cis-Piceid
390.40
1.7
6
8
139.84
5
(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
915.00
-0.6
10
19
293.21
9
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18R)-10-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
756.90
2
8
14
217.22
6
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-[(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-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
903.10
0.9
11
18
287.14
13
3-(3,4-Dihydroxy-2-methoxyphenyl)-7-hydroxychromen-4-one
300.26
2.1
3
6
100.13
2
(2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
441.40
-2.2
6
11
182.09
6
(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
959.10
0.1
12
20
332.28
10
Decarboxydihydrocitrinone
222.24
2.8
2
4
66.76
0
(4aR,7R,10aS)-1,3,4,5,6,7,8,9,10,10a-Decahydro-7-hydroxy-1,1-dimethyl-7-(1-methylethyl)-4a(2H)-phenanthrenecarboxylic acid
320.50
3.9
2
3
57.53
2
5',5''-Didemethoxypinoresinol
298.30
2.3
2
4
58.92
2
(2R)-2-[(2R,5S,6R)-6-[(3E,5E,7E,9E,11S)-11-ethyl-16-oxo-16-(1H-pyrrol-2-yl)hexadeca-3,5,7,9-tetraen-3-yl]-5-methyloxan-2-yl]propanoic acid
495.70
8
2
4
79.39
15
Eriodictin
434.40
0.7
6
10
166.14
3
1,6,8-Trihydroxy-9,10-dioxoanthracene-2,3-dicarboxylic acid
344.23
1.4
5
9
169.43
2
1,2,3-trihydroxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
448.40
0.6
7
11
194.21
3
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