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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
dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-4,7,14-trihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-12-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
678.70
-1.2
4
15
209.27
8
I(2)-D-Glucopyranose, 6-O-I(2)-D-glucopyranosyl-, 1-(3-phenyl-2-propenoate), (E)-
472.40
-2.1
7
12
195.6
8
I(2)-D-Glucopyranose, 6-O-I+/--L-arabinofuranosyl-, 1-(3-phenyl-2-propenoate), (E)-
442.40
-1.5
6
11
175.37
8
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-phenylprop-2-enoate
540.60
2.1
4
10
155.89
9
Kanzonol T
438.50
4.1
4
7
120.36
4
3-Hydroxybenzyl alcohol
124.14
0.5
2
2
40.46
1
CID 102000285
404.50
1.2
1
7
98.5
4
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4-diol
767.00
3.6
7
13
196.99
7
[(2R,3S,4S,5R,6S)-6-[[(1R,4R)-9-(benzoyloxymethyl)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
584.60
0.7
4
12
178.28
10
[(1S,2R,3S,4R,5R,6S,8S,10R,11R,12R,15R)-3,4,6,11-tetraacetyloxy-2,8-dihydroxy-1,15-dimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate
686.70
0.8
2
14
198.26
12
[(2R,3R,4R,5R,6R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-5-hydroxy-2-(hydroxymethyl)-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
640.60
-1.6
10
16
265.52
11
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
654.60
-1.3
9
16
254.52
12
[(2R,3R,4S,5R,6R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
654.60
-1.3
9
16
254.52
12
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
756.70
-1.7
11
19
304.21
14
(2R)-2-[(1S)-1-[(5R,6R,8R,9S,10R,13S,14R,17S)-6-ethoxy-5,14,17-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
532.70
1.7
4
8
133.52
4
4-[9-[5-[(1R,4R)-4-[(2R,5R)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
638.90
8
4
8
125.68
25
1-O-[(2S,3S,6S,9S)-9-[(2S,3S,6S,8S)-3-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]oxy-4-methoxy-9-oxo-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-8-yl]-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
1103.20
3.1
4
20
265.05
23
(3S,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxypentanoic acid
656.80
3.6
4
11
153.37
10
(3S,4S)-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]-3-methoxypentanoic acid
642.80
3.1
4
11
153.37
9
5-Hydroxy-3,7,8,3',4'-pentamethoxyflavone
388.40
3.4
1
8
96.59
6
Castavinol
550.50
-0.5
7
13
204.83
6
5-Hydroxycastavinol
566.50
-0.9
8
14
225.06
6
methyl 1-hydroxy-2-[5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl]-9H-carbazole-3-carboxylate
553.60
6.9
3
7
121.99
5
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6,6-dimethyl-5-methylideneoctan-2-yl]-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane
482.80
11.9
0
1
9.23
7
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(6-methoxy-1,3-benzodioxol-5-yl)-2H-chromen-7-yl]oxy]oxane-3,4,5-triol
460.40
1.1
4
10
136.3
5
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