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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Crithmumdiol
|
262.40
|
4.6
|
2
|
2
|
40.46
|
9
|
|
|
7-[(2E,6Z)-5,8-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
|
398.50
|
4.9
|
2
|
5
|
79.9
|
9
|
|
|
Isogenistein 7-glucoside
|
432.40
|
0.9
|
6
|
10
|
170.05
|
4
|
|
|
Daidzein 4',7-diglucoside
|
578.50
|
-1.1
|
8
|
14
|
228.97
|
7
|
|
|
Isodactylifric acid
|
336.29
|
0.2
|
5
|
8
|
144.52
|
5
|
|
|
[2-[[6-[2-[(2E,6Z,10E)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl] (2Z,6Z,10Z)-4-hydroxy-2,6,10,14-tetramethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoate
|
1565.80
|
0.9
|
19
|
33
|
521.43
|
40
|
|
|
{[(e)-(3-Hydroxy-3-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene)amino]oxy}sulfonic acid
|
405.40
|
-1.4
|
6
|
12
|
220.02
|
8
|
|
|
Mangicrocin
|
894.90
|
3.3
|
11
|
19
|
323.8
|
15
|
|
|
2,3-Dihydrowithanolide E
|
488.60
|
1.6
|
3
|
7
|
116.59
|
2
|
|
|
Withaperuvin H
|
578.70
|
0.8
|
5
|
10
|
179.05
|
2
|
|
|
2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
|
428.60
|
5.7
|
0
|
5
|
69.67
|
8
|
|
|
2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
|
442.60
|
6.4
|
0
|
5
|
69.67
|
9
|
|
|
Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside)
|
696.60
|
2.1
|
11
|
17
|
301.43
|
10
|
|
|
beta-D-Galactopyranoside, (2alpha,3beta,5alpha,25R)-26-(beta-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl O-beta-D-glucopyranosyl-(1-->3)-O-[O-beta-D-glucopyranosyl-(1-->3)-beta-D-glucopyranosyl-(1-->2)]-O-beta-D-glucopyranosyl-(1-->4)-
|
1423.50
|
-5.6
|
22
|
35
|
565.05
|
22
|
|
|
(3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside
|
293.27
|
-3.8
|
6
|
9
|
163.63
|
6
|
|
|
Albanin B
|
436.50
|
4.5
|
4
|
7
|
120.36
|
4
|
|
|
Monardein
|
913.80
|
|
10
|
22
|
363.56
|
19
|
|
|
Falcarindiol 3-acetate
|
302.40
|
4.9
|
1
|
3
|
46.53
|
11
|
|
|
(3beta,4alpha,5alpha,24(28)Z)-4,14-Dimethylstigmasta-9(11),24(28)-dien-3-ol
|
440.70
|
9.6
|
1
|
1
|
20.23
|
5
|
|
|
DELTA3,5-Deoxytigogenin
|
396.60
|
6.9
|
0
|
2
|
18.46
|
0
|
|
|
3beta-Ergosta-5,23-dien-3-ol
|
398.70
|
8.3
|
1
|
1
|
20.23
|
4
|
|
|
9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
|
424.40
|
-0.8
|
5
|
10
|
159.05
|
4
|
|
|
(3I(2),5I+/-)-3-[[2-O-(6-Deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-22,26-epoxy-26-hydroxycholest-7-en-6-one
|
738.90
|
2.3
|
7
|
13
|
204.83
|
7
|
|
|
(3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8(14),24(28)-dien-3-ol
|
426.70
|
8.7
|
1
|
1
|
20.23
|
5
|
|
|
Ginsenoside III
|
961.10
|
1.1
|
12
|
19
|
315.21
|
14
|
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