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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
CID 11442594
462.50
1.1
1
9
124.8
6
(5R-trans)-5,6-Dihydro-6-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-5-vinyl-1H,3H-pyrano(3,4-c)pyran-1-one
524.50
0.5
0
13
159.19
12
(1R,2R,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydropicene-4a-carboxylic acid
472.70
6.7
3
4
77.76
1
Complanadine A
482.70
5
2
4
49.84
1
Methyl 3-acetoxy-3-dehydroxyursolate
512.80
8.2
0
4
52.6
4
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
552.50
-0.6
7
13
204.83
11
5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one
578.50
-0.1
8
14
228.97
5
[(1S,4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
596.70
5.8
0
6
77.54
6
(3S,4R,5S)-4-hydroxy-3-[(13S)-13-hydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one
624.90
10.4
3
7
105.45
25
[(2R,3R,4R,5S,6S)-3-acetyloxy-2-[[(2R,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-6-methyloxan-4-yl] acetate
678.60
0
7
17
261.34
10
methyl (1R,2S,3R,6R,8S,9S,13S,14S,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,12-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate
682.70
0
6
16
245.04
8
Javanicoside F
696.70
0.6
6
16
245.04
9
Sapinmusaponin A
785.00
3.5
9
13
218.99
9
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid
795.00
3.3
8
14
232.9
7
Phyllostadimer A
810.80
3
6
16
213.68
13
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
810.90
0.7
4
16
199.52
8
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-10-benzoyloxy-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
1065.20
2.4
12
21
341.51
12
3-Cyclohexen-1-ol,2-methylene-5-(1-methylethyl)-,(1S-trans)-(9CI)
152.23
2.1
1
1
20.23
1
1,3-Difluoroazulene
164.15
3.1
0
2
0
0
2-[(E)-non-1-en-3,5,7-triynyl]furan
180.20
3.2
0
1
13.14
3
2,3-Dimethylhexane
114.23
4
0
0
0
3
Kuraramine
222.28
0
2
3
56.33
2
CID 11447401
222.37
4.5
1
1
20.23
0
4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol
226.27
3.7
2
2
40.46
3
(E,4R,5R)-4,5-dihydroxy-N-(2-methylpropyl)oct-2-enamide
229.32
1.1
3
3
69.56
7
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