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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3aR,4aR,6R,7R,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-6-yl] acetate
|
306.40
|
1.5
|
1
|
5
|
72.83
|
2
|
|
|
tatridin-A
|
264.32
|
0.6
|
2
|
4
|
66.76
|
0
|
|
|
(4aS,6aR,6aR,6bR,7R,8aR,10S,12aS,14bS)-7,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
472.70
|
6.1
|
3
|
4
|
77.76
|
1
|
|
|
(1R,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,8,13-triol
|
423.50
|
-0.4
|
3
|
7
|
91.62
|
4
|
|
|
(1R,4R,5R,6R,10R,11R,16R)-5,6,11-trihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
|
371.40
|
-0.1
|
3
|
8
|
116.53
|
1
|
|
|
3-[(Z)-2-(1-acetylcyclopropyl)prop-1-enyl]-5,5-dimethylcyclopent-2-en-1-one
|
232.32
|
2.3
|
0
|
2
|
34.14
|
3
|
|
|
CID 101297666
|
430.50
|
4.5
|
0
|
6
|
78.9
|
6
|
|
|
(8S,9S,10R,13S,14S,16S,17R)-17-[(3R)-2,3-dihydroxy-6-methylheptan-2-yl]-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
432.60
|
5
|
3
|
4
|
77.76
|
5
|
|
|
(3S,8S,9S,10R,13S,14S,16S,17R)-17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
|
418.70
|
6.2
|
3
|
3
|
60.69
|
5
|
|
|
(6R,8S,9S,10R,13S,14S,17S)-6-hydroxy-17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
416.60
|
5.4
|
2
|
3
|
57.53
|
5
|
|
|
(1S,2S,3S,5S)-2-ethenyl-2-methyl-3,5-bis(prop-1-en-2-yl)cyclohexan-1-ol
|
220.35
|
4.8
|
1
|
1
|
20.23
|
3
|
|
|
(3S,8R,9S,10R,13R,14S,17R)-17-acetyl-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,12,16,17-decahydrocyclopenta[a]phenanthrene-11,15-dione
|
360.40
|
0.2
|
2
|
5
|
91.67
|
1
|
|
|
[5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (E)-8-hydroxy-2,6-dimethyloct-6-enoate
|
542.60
|
1.2
|
5
|
12
|
181.44
|
12
|
|
|
(4S,5R)-4-hydroxy-5-(6-hydroxy-6-methylhept-1-en-2-yl)-2-methylcyclohex-2-en-1-one
|
252.35
|
1.9
|
2
|
3
|
57.53
|
5
|
|
|
(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7-triol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
(1S,2R,5R,6R,9R,10S,13R,14S,17R,19S,20S)-2,5,10,13,19,20-hexamethyl-6-propan-2-yl-18-oxahexacyclo[11.9.0.02,10.05,9.014,20.017,19]docosane
|
426.70
|
9.5
|
0
|
1
|
12.53
|
1
|
|
|
(E)-5-[(1R,4aR,5S,8aR)-5-formyl-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
318.40
|
4.7
|
1
|
3
|
54.37
|
5
|
|
|
Ent-atiserene
|
272.50
|
6.9
|
0
|
0
|
0
|
0
|
|
|
Solidagolactone II
|
400.50
|
5.5
|
0
|
4
|
52.6
|
6
|
|
|
(1S,4S,5S,9S,10R,13R,14R)-5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
|
306.50
|
4.5
|
2
|
2
|
40.46
|
1
|
|
|
Humuladienone
|
220.35
|
3.8
|
0
|
1
|
17.07
|
0
|
|
|
(2S,3R,5R,8R,9S,10R,13R,14R,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
|
466.60
|
2.2
|
5
|
6
|
118.22
|
5
|
|
|
(2S,3R,5R,8R,9S,10R,13R,14R,17R)-2,3,14-trihydroxy-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
|
450.70
|
3.6
|
4
|
5
|
97.99
|
5
|
|
|
[(1S,2S,5R,7R,8S,9S,10S,11R,15R)-7-acetyloxy-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate
|
434.50
|
1.9
|
2
|
7
|
102.29
|
4
|
|
|
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(7-methoxy-1,3-benzodioxole-5-carbonyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
|
592.60
|
3.9
|
1
|
10
|
117.78
|
8
|
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