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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Aglinin A
|
490.70
|
6.5
|
3
|
5
|
86.99
|
6
|
|
|
beta-D-Glucopyranosiduronic acid, (3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl
|
648.80
|
4.9
|
6
|
10
|
173.98
|
5
|
|
|
N-benzoyl-4-hydroxyanthranilic acid
|
257.24
|
3.2
|
3
|
4
|
86.63
|
3
|
|
|
beta-D-Glucopyranoside, 7-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-4,7-dimethylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,7alpha,7aalpha))-
|
404.40
|
-1.8
|
5
|
10
|
155.14
|
5
|
|
|
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-
|
250.25
|
2.4
|
0
|
3
|
43.6
|
1
|
|
|
10-Hydroxycanthin-6-one
|
236.22
|
2.1
|
1
|
3
|
54.6
|
0
|
|
|
5-Epideoxyloganic acid
|
360.36
|
-0.4
|
5
|
9
|
145.91
|
4
|
|
|
Cleistanthoside A
|
702.70
|
1.4
|
4
|
16
|
199.52
|
10
|
|
|
Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-
|
358.34
|
-0.9
|
4
|
9
|
134.91
|
6
|
|
|
(3S,3aS,6aR,9aR,9bS)-3-(methoxymethyl)-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
|
262.34
|
2
|
0
|
3
|
35.53
|
2
|
|
|
rel-(3r,3'S,4r,4's)-3,3',4,4'-tetrahydro-6,6'-dimethoxy[3,3'-bi-2h-benzopyran]-4,4'-di-ol
|
358.40
|
1.9
|
2
|
6
|
77.38
|
3
|
|
|
Olean-12-en-29-oic acid, 3,23-dihydroxy-, (3beta,4beta,20alpha)-
|
472.70
|
6.8
|
3
|
4
|
77.76
|
2
|
|
|
[(1S,3R,6S,8R,12S,13R,15R,16R,17R)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate
|
692.80
|
1
|
6
|
12
|
200.28
|
9
|
|
|
[(1S,3R,6S,8R,12S,13R,15R,16R,17R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate
|
674.80
|
2
|
4
|
11
|
172.35
|
8
|
|
|
[(1S,3R,6S,8R,12S,15R,16R,17R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate
|
658.80
|
2.5
|
3
|
10
|
152.12
|
8
|
|
|
(3S,4aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
442.70
|
7.6
|
2
|
2
|
40.46
|
1
|
|
|
Zamanic acid
|
618.80
|
8.2
|
3
|
6
|
104.06
|
6
|
|
|
[(1R,2S,3R,4R,7S,9R,10R,11R,14S)-2,3,10-triacetyloxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-7-yl] (E)-3-phenylprop-2-enoate
|
622.70
|
4.1
|
0
|
10
|
134.8
|
10
|
|
|
8-hydroxy-1-methoxy-3-methyl-2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
|
446.40
|
1.2
|
5
|
10
|
162.98
|
4
|
|
|
[3-(2-Methoxyphenyl)-8-methyl-4-oxochromen-7-yl] acetate
|
324.30
|
3.3
|
0
|
5
|
65.74
|
4
|
|
|
7-Methoxy-3-(2-methoxyphenyl)-8-methylchromen-4-one
|
296.30
|
3.5
|
0
|
4
|
48.67
|
3
|
|
|
Gliricidin
|
300.26
|
2.1
|
3
|
6
|
100.13
|
2
|
|
|
(1R,3aR,4R,8aS)-1-methoxy-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-4-ol
|
252.39
|
2.6
|
1
|
2
|
29.46
|
2
|
|
|
5,2'-Dihydroxy-6,7,8,3'-tetramethoxy flavone
|
374.30
|
2.9
|
2
|
8
|
107.59
|
5
|
|
|
(+)-(r)-5-Hydroxy-6-hydroxymethyl-7-methoxy-8-methylflavanone
|
314.30
|
2.6
|
2
|
5
|
75.99
|
3
|
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