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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
(2R,3R,4S,5S,6R)-2-[(2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
584.60
0.9
7
13
196.99
14
osmanthuside B
592.60
0.2
7
13
204.83
11
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,1aR,4S,4aS,7R,7aS,7bS)-4-hydroxy-1,7-dimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-1-carboxylate
592.60
-2
9
14
236.06
8
Reticulatacin
592.90
12.9
2
5
75.99
28
Gigantetrocinone
596.90
8.4
3
7
113.29
26
orthosiphol J
612.70
3.4
1
11
159.57
10
Gelomuloside A
622.60
0.1
7
15
227.2
8
Cannabisin G
624.70
5.4
6
8
157.58
13
(5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
636.90
7
2
8
119.36
25
4-[9-[(5R)-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
Jacarelhyperol B
652.60
5.9
5
12
189.26
3
(1S,2R)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-9-oxo-10H-acridin-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
670.70
5.5
5
13
181.93
6
(+)-Malekulatine
670.80
6.3
2
10
102.32
11
Nagilactoside D
672.70
-3
8
16
255.27
7
orthosiphonone A
674.70
5
1
11
159.57
11
5-[(2R,3R,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
680.70
7.7
7
9
160.07
6
methyl (2S,6R,8R,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[(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-9-ene-17-carboxylate
684.70
-1.1
6
16
245.04
9
1,21-Docosadiene
306.60
11.1
0
0
0
19
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,5,9,11,16-pentaacetyloxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate
714.80
1.9
1
14
187.26
14
9,9'-Di-O-(E)-feruloylsecoisolariciresinol
714.80
7.1
4
12
170.44
19
2-[(E)-3-[2-[(Z)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
718.60
4.4
10
16
289.04
15
Hellebrigenin 3-O-glucosylrhamnoside
724.80
-1.7
8
15
246.04
7
Kaempferol-3-O-(2',6'-di-O-trans-p-coumaroyl)-beta-D-glucopyranoside
740.70
4.8
7
15
242.88
12
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
740.70
4.8
7
15
242.88
12
Purine
120.11
-0.4
1
3
54.46
0
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