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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
12-Dehydroxyghalakinoside
550.60
0
5
10
155.14
3
Gelsebanine
504.60
2.4
1
6
79.31
4
Gelsebamine
255.35
1.5
1
4
49.77
5
4-Hydroxy-3,5-dimethoxy-2-naphthaldehyde
232.23
2.2
1
4
55.76
3
(1R,2S,5S,7S,8S,10S,13S)-10-(furan-3-yl)-8-(hydroxymethyl)-4,11,14-trioxapentacyclo[11.2.2.12,5.01,7.08,13]octadecane-3,12,15-trione
388.40
0.5
1
8
112.27
2
(2S,3R,4S,5S,6R)-2-[(3R,6E,10S)-3,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
418.50
0.7
6
8
139.84
11
(2S,3R,4S,5S,6R)-2-[(3R,6E,10S)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
418.50
0.7
6
8
139.84
11
1-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
354.40
5.1
3
5
86.99
6
D-Xylose, 4-O-beta-D-xylopyranosyl-
282.24
-4.3
6
9
156.91
6
3-[(3S,5R,8R,9S,10R,13R,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
536.70
0.9
5
9
145.91
4
Asimilobine
267.32
2.6
2
3
41.49
1
Epiberberine
336.40
3.6
0
4
40.8
2
Salicifoline
210.29
1.2
1
2
29.46
4
[(2S,3S,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-10-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1353.50
-2.3
17
30
471.74
15
Nubenolide
260.28
-0.1
1
4
63.6
0
(3aS,4R,8aS,9R)-4-[(3aR,4S,8aR,9S)-9-hydroxy-1,5,8-trimethyl-2,6-dioxo-3a,4,8a,9-tetrahydroazuleno[6,5-b]furan-4-yl]-9-hydroxy-1,5,8-trimethyl-3a,4,8a,9-tetrahydroazuleno[6,5-b]furan-2,6-dione
518.60
-0.9
2
8
127.2
1
Nubenolide acetate
302.32
0.4
0
5
69.67
2
Puerariafuran
284.26
2.7
2
5
79.9
3
Cimigenol xyloside
620.80
3.7
5
9
138.07
3
1-O-Formylrocagloic acid
506.50
2.9
2
9
120.75
8
(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylic acid
494.50
2.5
4
9
134.91
6
1D-myo-inositol 5-phosphate
260.14
-4.8
7
9
177.72
2
Cotarninium
220.24
1
0
3
30.7
1
CID 16090911
402.50
2.5
3
6
104.06
2
(1R,3S,6R,7R,8S,10R,11R,12R,13R,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
424.40
-0.4
3
10
148.82
1
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