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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2R,3R,4S,5S,7R,9S,10R,11S,13S,15R)-9,15-diacetyloxy-2-benzoyloxy-7-hydroxy-5,9,12,12-tetramethyl-4-(2-methylpropanoyloxy)-8-oxo-1-tetracyclo[8.5.0.03,7.011,13]pentadecanyl]methyl pyridine-3-carboxylate
|
747.80
|
5.4
|
1
|
13
|
181.69
|
14
|
|
|
(1S,2R,5R,6S,9R,10R,13R,14R,15R)-6-(hydroxymethyl)-2,6,9-trimethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-7,17-diene-1-carboxylic acid
|
424.60
|
6.3
|
2
|
3
|
57.53
|
3
|
|
|
(5R,6S,7S,8R,9R,10R,13S,17S)-6,7-dihydroxy-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
|
506.70
|
3.3
|
5
|
6
|
118.22
|
5
|
|
|
[(1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,8,10-triacetyloxy-3a,6,8a-trihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate
|
616.70
|
2.8
|
3
|
11
|
165.89
|
9
|
|
|
(2R)-2-[(1R)-1-hydroxy-1-[(5R,6R,8R,9S,10R,13S,14S,15S,17S)-5,6,15-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
|
488.60
|
2.1
|
4
|
7
|
124.29
|
2
|
|
|
[(5R,6R,8R,9S,10R,13R,14S,15S,17R)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-15-yl] acetate
|
514.60
|
3.9
|
2
|
7
|
110.13
|
4
|
|
|
methyl (2S)-2-[(4S,5R,9R,10R,13S,14S,17S)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoate
|
484.70
|
7.1
|
1
|
4
|
63.6
|
7
|
|
|
(10R,13S,14S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-ethoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,12,15,16,17-hexahydrocyclopenta[a]phenanthren-3-one
|
512.70
|
4.8
|
2
|
5
|
75.99
|
5
|
|
|
2,6-Dimethylquinoline
|
157.21
|
3
|
0
|
1
|
12.89
|
0
|
|
|
(5R,10S,13S,14S,17R)-17-[(2S,3R,5S)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-ethoxy-3-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
|
530.70
|
3.8
|
3
|
6
|
96.22
|
5
|
|
|
(3R,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5S)-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
|
|
|
(3S,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5S)-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
|
|
|
(2R)-4,5-dimethyl-2-[(1S)-1-[(5R,6R,8R,9S,10R,13R,14S,15R)-5,6,14,15-tetrahydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one
|
486.60
|
1.4
|
4
|
7
|
124.29
|
2
|
|
|
(1R,2S,3S,4S,6R,7S,10S,11R,16R,17R)-6-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,3,16,17-tetrahydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-12-one
|
502.60
|
1
|
4
|
8
|
136.82
|
2
|
|
|
[(1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9,10-tetraacetyloxy-11-benzoyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-13-yl] benzoate
|
760.80
|
6.3
|
0
|
13
|
174.87
|
14
|
|
|
9-(2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthren-3-yl)-5,7-dimethoxyphenanthrene-4,10-diol
|
510.50
|
6.5
|
4
|
7
|
108.61
|
4
|
|
|
[(1R,2S,3S,4S,5S,7R,9S,10R,14R)-2-acetyloxy-1-(acetyloxymethyl)-3,7-dihydroxy-5,9,12,12-tetramethyl-8,13-dioxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
|
570.60
|
2.2
|
2
|
10
|
153.5
|
8
|
|
|
(1S,5S,9R,11S,12R)-1-benzoyl-5-hydroxy-4,4,12-trimethyl-9,11-bis(3-methylbut-2-enyl)-12-(4-methylpent-3-enyl)-3-oxatricyclo[7.3.1.02,7]tridec-2(7)-ene-8,13-dione
|
586.80
|
8.7
|
1
|
5
|
80.67
|
9
|
|
|
(1S,6S,9R,10S,13S)-10-benzoyl-1-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-9-methyl-3,13-bis(3-methylbut-2-enyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione
|
620.80
|
6.3
|
3
|
7
|
121.13
|
10
|
|
|
3,10-Dihydroxy-2,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
|
339.30
|
2.4
|
2
|
5
|
80.92
|
2
|
|
|
5-[(1R)-1-[(1R,2S)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
472.60
|
4.4
|
3
|
7
|
128.97
|
10
|
|
|
[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-15-(2-methylbutanoyloxy)-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-5-yl] benzoate
|
826.90
|
4
|
0
|
16
|
210.4
|
18
|
|
|
(1R,2R,5S,8R,9R,10R,13R,14R,15S,16S,18R)-16-(4-hydroxybenzoyl)oxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
|
606.80
|
8.9
|
3
|
7
|
121.13
|
6
|
|
|
(4S,8R)-8,14-dihydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
|
308.40
|
3
|
2
|
5
|
75.99
|
1
|
|
|
[(5S,6S,8R,9S,10R,13R,14S,15S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,6,14-trihydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
|
528.60
|
1.9
|
3
|
8
|
130.36
|
4
|
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