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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
6-O-trans-Feruloylcatalpol
538.50
-0.9
6
13
197.13
9
(3,4-Disinapoyl)fructofuranosyl-(6-sinapoyl)glucopyranoside
960.90
1.2
8
23
323.81
23
Inerminoside B
674.70
-1.1
8
16
251.36
14
Sophorotriose
504.40
-5.8
11
16
268.68
7
4-Methoxycinnamic acid
178.18
1.8
1
3
46.53
3
1,2,7-Trihydroxy-6,8-dimethoxy-3-methylanthraqu inone
330.29
2.7
3
7
113.29
2
(2s)-5,6,7,2',3',4',5'-Heptamethoxyflavanone
434.40
2.7
0
9
90.91
8
3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
448.40
1.3
6
11
179.28
5
3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
418.30
1.3
6
10
170.05
4
Isorhamnetin 3-galactoside
478.40
0.7
7
12
199.51
5
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
478.40
0.7
7
12
199.51
5
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
478.40
0.7
7
12
199.51
5
Methyl 18-hydroxyoctadecanoate
314.50
6.9
1
3
46.53
18
Cyclododecanone
182.30
4.2
0
1
17.07
0
beta-D-Glucopyranosiduronic acid,(3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)-
810.90
4
8
16
267.04
12
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)-
941.00
2.1
10
20
325.96
14
Pikuroside
530.50
-2
7
14
214.06
7
Depressoside C
781.00
3.8
8
13
207.99
9
Depressoside D
799.00
2.8
9
14
228.22
8
1-18:2-2-18:2-Digalactosyldiacylglycerol
941.20
9.2
7
15
231.13
40
(1S,2S,5R,6R,10R,11R,12S,14S)-5-[(1S)-1-[(1S,3R,5S)-1-ethyl-5,6,6-trimethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-6,10-dimethylspiro[13-oxatetracyclo[7.5.0.02,6.012,14]tetradec-8-ene-11,5'-oxolane]-2',7-dione
514.60
3.8
0
7
83.59
3
(2R,3R)-2-[(3aS,3bS,8aS)-3-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3a,6,8,8a-tetrahydro-5,7,8a-trihydroxy-1,6,8-trioxocyclopent[a]inden-3b(1H)-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
760.60
1.4
11
18
318.5
5
Giffonin T
344.40
1
5
6
118.22
0
(9R,10R,11R,12R)-3,9,10,11,12,17-hexahydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-one
360.40
0.1
6
7
138.45
0
(1R,2S,7S,10R,11R,13R,15R,16R,19S)-1,2-dihydroxy-7-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-en-12-one
506.60
1.3
3
8
114.68
3
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