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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
Epicatechin-(2beta->7,4beta->8)-[epicatechin-(4beta->8)]2-catechin
1153.00
4.3
19
24
430.52
6
(1R,2R,4R,5S)-(+)-p-Menthane-2,5-diol
174.24
0.4
3
3
60.69
1
cis-Resveratrol-3,4'-O-beta-diglucoside
570.50
11
14
250.22
6
(2S,3R,4aS,8aR)-3-tert-butyl-8a-methyl-5-methylidene-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
236.39
4.4
1
1
20.23
1
Quercetin 3-glucosyl-(1->2)-galactoside 7-glucoside
788.70
-3
14
22
368.81
10
3,4'-Dimethyquercetin 7-[alpha-L-arabinofuranosyl-(1->6)-glucoside]
624.50
-0.5
8
16
247.43
9
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid
504.40
1.5
5
13
194.58
5
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[1-(4-hydroxyphenyl)ethyl]-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
552.50
2.1
8
11
201.28
5
5,7-dihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-4-one
464.40
-0.5
9
12
221.51
3
Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside] 5-O-(beta-D-glucopyranoside)
1110.00
13
25
400.73
20
Isovitexin 6''-rhamnoside
578.50
-1.4
9
14
239.97
5
6-[(3R,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
578.50
-0.7
9
14
239.97
4
6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
578.50
-0.7
9
14
239.97
4
2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin
592.50
-0.4
8
14
228.97
5
Isovitexin 7-(6'''-(E)-p-feruloylglucoside)
770.70
0.1
10
18
295.73
11
Isoscoparin 4'-glucoside
624.50
-1.6
10
16
269.43
7
Isosakuranetin 7-[arabinosyl-(1->6)-glucoside]
580.50
-0.6
7
14
214.06
8
5-hydroxy-2-(4-hydroxyphenyl)-6,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,3-dihydrochromen-4-one
612.50
-1.6
10
16
265.52
7
Cyanidin 7-(3-glucosyl-6-malonylglucoside) 4'-glucoside
855.80
14
21
359.13
14
Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside
977.90
12
23
363.43
16
Pelargonidin 3-O-[2-O-beta-D-glucopyranosyl-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside] 5-O-(beta-D-glucopyranoside)
903.80
13
21
355.97
14
Pelargonidin 3-O-[2-O-(2-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside] 5-O-(beta-D-glucopyranoside)
1110.00
13
25
400.73
20
[(2R,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
949.80
14
23
385.43
14
[(2R,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
963.90
13
23
374.43
15
(Cyanidin 3-O-(3-O-acetyl-beta-glucoside) (kaempferol 3-O-(2-O-beta-glucosyl-beta-glucoside)-7-O-beta-glucosiduronic acid) malonate
1348.10
19
36
595.69
22
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