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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-[1-[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
472.60
|
6.2
|
4
|
6
|
115.06
|
7
|
|
|
(1R,4S,5R,8S,11S,12S,13R,16R,17R,18R)-5,9,9,12-tetramethyl-20-oxo-18-prop-1-en-2-yl-19-oxahexacyclo[16.2.2.01,17.04,16.05,13.08,12]docosane-4,11-dicarboxylic acid
|
498.60
|
6
|
2
|
6
|
100.9
|
3
|
|
|
(5R,10S,13S,14S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-ethoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
|
514.70
|
5
|
2
|
5
|
75.99
|
5
|
|
|
(1R,2R,6S,9R,12S,13R,18R,19R)-8-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18,19-dihydroxy-4,4,9,13-tetramethyl-3,5-dioxapentacyclo[10.8.0.02,6.02,9.013,18]icosa-7,15-dien-14-one
|
526.70
|
2.9
|
2
|
7
|
102.29
|
2
|
|
|
(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(1S,2S,3S,4R)-2,4-dihydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
490.70
|
4.6
|
5
|
5
|
101.15
|
2
|
|
|
[(1R,2R,3aR,5S,6E,9S,10S,11S,13R,13aS)-1,2,3a,9,13-pentaacetyloxy-10-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-11-yl] benzoate
|
714.80
|
3.5
|
1
|
14
|
195.1
|
13
|
|
|
(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthrene-3,7,11-trione
|
502.70
|
3.3
|
3
|
6
|
111.9
|
5
|
|
|
[(1S,2S,3aR,4R,4aS,4bS,6R,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-8-oxo-1,2,3,4,4b,5,7,9,10,10a-decahydrocyclopenta[b]fluoren-1-yl] benzoate
|
614.70
|
2.8
|
2
|
11
|
162.73
|
9
|
|
|
(3R,5R,9R,10R,13S,14S,17S)-17-[(3S)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
470.70
|
7.7
|
1
|
3
|
38.69
|
3
|
|
|
[(1R,2R,3aR,5S,6E,9S,10S,11S,13R,13aS)-2,3a,9,10,11,13-hexaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
756.80
|
4
|
0
|
15
|
201.17
|
15
|
|
|
[(2R,3S,4S,5R,6S)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
476.40
|
1
|
6
|
11
|
183.21
|
8
|
|
|
(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5S)-2-ethoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
484.80
|
8.1
|
1
|
3
|
38.69
|
4
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-ethoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
516.80
|
5.6
|
2
|
5
|
75.99
|
5
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5S,6S)-2-ethoxy-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
516.80
|
6.2
|
2
|
5
|
75.99
|
4
|
|
|
(1R,6S,9R,10S,13S)-10-benzoyl-6-(2-hydroxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione
|
586.80
|
8.6
|
1
|
5
|
80.67
|
9
|
|
|
(1R,2R,5S,8R,9R,10R,13R,14R,15S,16S,18R)-16-hydroxy-15-methoxycarbonyl-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
|
500.70
|
7.9
|
2
|
5
|
83.83
|
4
|
|
|
(3S,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-2-ethoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
484.80
|
8.1
|
1
|
3
|
38.69
|
4
|
|
|
1,2,4-Triethylbenzene
|
162.27
|
4.3
|
0
|
0
|
0
|
3
|
|
|
(1S,2R,5R,7S,8R,9R,10R,13R,14R,15R,18S)-7-hydroxy-8-methoxycarbonyl-2,6,6,9-tetramethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-1,18-dicarboxylic acid
|
530.70
|
6.4
|
3
|
7
|
121.13
|
5
|
|
|
(5R,7R,8R,9R,10R,13S,17S)-7-hydroxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
490.70
|
4.3
|
4
|
5
|
97.99
|
5
|
|
|
[(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,13S,15R)-2,7,16-triacetyloxy-8-benzoyloxy-5,9,12,12-tetramethyl-4-(2-methylpropanoyloxy)-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-15-yl] pyridine-3-carboxylate
|
789.90
|
6
|
0
|
14
|
179.92
|
15
|
|
|
5-methoxy-2,2-dimethyl-4H-naphtho[3,2-g][1,3]benzodioxine-6,11-dione
|
324.30
|
2.9
|
0
|
5
|
61.83
|
1
|
|
|
(5R,9R,10R,13S,14S,17R)-17-[(3S,5R,6S)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
472.70
|
5.8
|
2
|
4
|
66.76
|
2
|
|
|
[(1R,2R,3R,3aS,5S,6E,9S,10S,11S,13R,13aS)-1,3a,9,10-tetraacetyloxy-11-benzoyloxy-2,3-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-13-yl] benzoate
|
792.80
|
4.1
|
2
|
15
|
215.33
|
14
|
|
|
[(1S,2R,3R,4R,5R,6R,7S,9R,12R)-4,12-diacetyloxy-5-benzoyloxy-3-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
594.60
|
4.5
|
1
|
10
|
134.66
|
10
|
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