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Physicochemical properties (MW, LogP) of all entries.
| 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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