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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,4aR,5S,8R,8aR)-3,4a,5-trimethyl-2-oxo-3,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
332.40
|
4
|
0
|
4
|
52.6
|
3
|
|
|
[(3R,4aR,5S,8R,8aR)-3,4a,5-trimethyl-2-oxo-3,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
332.40
|
4
|
0
|
4
|
52.6
|
3
|
|
|
[(4aR,5S,8R,8aR,9aR)-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
332.40
|
3.9
|
0
|
4
|
52.6
|
3
|
|
|
[(4aR,5S,8R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
348.40
|
3.1
|
1
|
5
|
72.83
|
3
|
|
|
6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-
|
220.35
|
3
|
1
|
1
|
20.23
|
0
|
|
|
methyl (11S,12S,17S)-6-chloro-12-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
|
358.90
|
3.7
|
1
|
4
|
41.57
|
3
|
|
|
MicrandilactoneC
|
534.60
|
1.3
|
4
|
9
|
142.75
|
3
|
|
|
1-Caffeoylquinic acid
|
354.31
|
-0.4
|
6
|
9
|
164.75
|
5
|
|
|
3,5-Diferuloylquinic acid
|
544.50
|
2.2
|
5
|
12
|
189.28
|
11
|
|
|
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
668.60
|
-0.7
|
8
|
17
|
256.66
|
9
|
|
|
(2S,4aS,9R,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,9-diol
|
302.50
|
4.2
|
2
|
2
|
40.46
|
1
|
|
|
(1R,2R,5S,9S,12S,16R)-5-hydroxy-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-6-ene-8,11-dione
|
332.40
|
3.4
|
1
|
4
|
63.6
|
1
|
|
|
[(3S,4aR,6aR,6aR,6bR,8aS,11R,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate
|
468.80
|
10
|
0
|
2
|
26.3
|
2
|
|
|
(3S,3aR,4S,6E,9S,10E,11aS)-4-hydroxy-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
|
428.50
|
-0.7
|
5
|
9
|
145.91
|
3
|
|
|
(3aS,6R,6aS,8R,9aR,9bR)-6-hydroxy-6-methyl-3,9-dimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
|
426.50
|
-0.9
|
5
|
9
|
145.91
|
3
|
|
|
ginkgolide K
|
406.40
|
0.1
|
2
|
9
|
128.59
|
1
|
|
|
(6aR)-2,10,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
|
327.40
|
2.6
|
2
|
5
|
59.95
|
3
|
|
|
(2R)-2-[(1S)-1-[(8R,9S,10R,13S,14R,17S)-14,17-dihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4-(hydroxymethyl)-5-methyl-2,3-dihydropyran-6-one
|
486.60
|
1.2
|
4
|
7
|
124.29
|
3
|
|
|
(1S,2R,7S,9R,10R,11S,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-10,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
502.60
|
0.8
|
4
|
8
|
136.82
|
2
|
|
|
Withanolide C
|
523.10
|
2
|
4
|
7
|
124.29
|
2
|
|
|
Fukugeside
|
718.60
|
2.7
|
10
|
16
|
277.27
|
6
|
|
|
2,3,4-Trihydroxybutanal
|
120.10
|
-2.2
|
3
|
4
|
77.76
|
3
|
|
|
[(1R,5S,6S,9S,10S,11R,13R,14S,15R,18S,20R)-6-(furan-3-yl)-3,11,15,18-tetrahydroxy-5,10,14-trimethyl-4,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icos-2-en-20-yl] acetate
|
530.60
|
0
|
4
|
10
|
163.73
|
3
|
|
|
[(1S,2S,4R,5S,6S,9S,10S,11R,13R,14S,15R,18S,20R)-4-acetyloxy-6-(furan-3-yl)-11,18-dihydroxy-15-methoxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate
|
588.60
|
1
|
2
|
11
|
158.8
|
6
|
|
|
[(1S,2S,4R,5S,6S,9S,10S,11R,13R,14S,15S,18S,20R)-4-acetyloxy-6-(furan-3-yl)-11,18-dihydroxy-15-methoxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate
|
588.60
|
1
|
2
|
11
|
158.8
|
6
|
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