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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[[(1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,9,10,13-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-3a-yl]oxy]acetic acid
|
714.80
|
4.2
|
1
|
14
|
195.1
|
14
|
|
|
(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(2R,3S,5R)-2-ethoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
500.80
|
6.9
|
2
|
4
|
58.92
|
4
|
|
|
[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5-hydroxy-5,9,12-trimethyl-4-(2-methylpropanoyloxy)-16-oxo-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl] 2-methylbutanoate
|
736.80
|
2.3
|
1
|
15
|
204.33
|
15
|
|
|
(1S,5R,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,3S,8R,10S,11R)-8-[(2S)-2,3-dihydroxy-3-methylbutyl]-3-(2-hydroxypropan-2-yl)-11-methyl-10-(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-6-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
|
586.80
|
5.8
|
3
|
7
|
121.13
|
11
|
|
|
(1S,5R,9R,11S,12R)-5-hydroxy-4,4,12-trimethyl-9,11-bis(3-methylbut-2-enyl)-12-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[7.3.1.02,7]tridec-2(7)-ene-8,13-dione
|
552.80
|
8.1
|
1
|
5
|
80.67
|
9
|
|
|
3-O-p-hydroxybenzoyl ceanothic acid
|
606.80
|
8.9
|
3
|
7
|
121.13
|
6
|
|
|
[(1S,2S,3R,3aS,5S,6E,9S,10S,11S,13R,13aR)-3a,9,10,11,13-pentaacetyloxy-3-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
|
714.80
|
3.7
|
1
|
14
|
195.1
|
13
|
|
|
[(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-7,15-diacetyloxy-1-(acetyloxymethyl)-5,9,11,11-tetramethyl-4-(2-methylpropanoyloxy)-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate
|
682.80
|
4.6
|
0
|
12
|
157.8
|
13
|
|
|
[(1S,2R,3R,4S,5S,7R,8S,9R,10R,11S)-2,7,8-triacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-14-oxo-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-4-yl] benzoate
|
654.70
|
3.1
|
0
|
12
|
157.8
|
12
|
|
|
[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8-diacetyloxy-7,14-dihydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
|
556.60
|
3.6
|
2
|
9
|
136.43
|
7
|
|
|
(1R,6S,9R,10S,13R)-13-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-9-methyl-1,3-bis(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione
|
586.80
|
5.6
|
3
|
7
|
121.13
|
10
|
|
|
[(1S,2R,3R,4S,5R,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl] 2-methylpropanoate
|
692.70
|
2.6
|
0
|
14
|
184.1
|
14
|
|
|
(1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,17S,18R)-16-hydroxy-17-(hydroxymethyl)-1,2,14,17-tetramethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
|
502.70
|
6.4
|
4
|
6
|
115.06
|
4
|
|
|
[(1R,2R,3R,4S,5S,7R,9S,10R,14R)-2-acetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-8,13-dioxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
|
496.60
|
3.9
|
1
|
7
|
106.97
|
5
|
|
|
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23R,25R)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (Z)-2-methylbut-2-enoate
|
575.70
|
1.7
|
5
|
9
|
139.92
|
3
|
|
|
(1S,2R,5S,8S,9S,10R,13R,14R,15R,18S)-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
|
514.70
|
6.8
|
2
|
6
|
100.9
|
5
|
|
|
10-(2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,5-diol
|
480.50
|
6.5
|
4
|
6
|
99.38
|
3
|
|
|
[(1S,2S,3R,3aS,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9,10,11-pentaacetyloxy-3-hydroxy-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
|
714.80
|
3.7
|
1
|
14
|
195.1
|
13
|
|
|
(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5R)-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,3R,5S,6R,9R,10R,12S,13R)-2,3,10-trihydroxy-6-[(2R)-4-(hydroxymethyl)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-15,18-diene-8,14-dione
|
514.60
|
-0.4
|
4
|
9
|
150.59
|
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]-2,17-dihydroxy-16-methoxy-7,11-dimethyl-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl] acetate
|
558.70
|
2.1
|
2
|
9
|
131.89
|
5
|
|
|
4H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-4-one, 2-[2,4-bis(acetyloxy)phenyl]-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-
|
504.50
|
5.7
|
1
|
8
|
112.27
|
7
|
|
|
[(5R,7R,8R,9R,10S,11R,13S,17R)-17-[(2R,3R,5S)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-3-hydroxy-2-methoxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] hexanoate
|
646.80
|
4.3
|
4
|
9
|
142.75
|
10
|
|
|
(1S,5S,9S,11S,12R)-1-benzoyl-9-[(2S)-2,3-dihydroxy-3-methylbutyl]-5-hydroxy-4,4,12-trimethyl-11-(3-methylbut-2-enyl)-12-(4-methylpent-3-enyl)-3-oxatricyclo[7.3.1.02,7]tridec-2(7)-ene-8,13-dione
|
620.80
|
6.4
|
3
|
7
|
121.13
|
10
|
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