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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,4aR,7S,10aR,11bR)-1,7-dihydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
|
332.40
|
1.8
|
2
|
4
|
66.76
|
0
|
|
|
[(1S,2S,4S,5R,10R,11S,14S,15Z,16R,18S)-5-hydroxy-15-[1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethylidene]-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-16-yl] acetate
|
526.60
|
2.6
|
2
|
8
|
122.66
|
4
|
|
|
[(1S,4S,5R,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-6-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl (E)-2-methylbut-2-enoate
|
418.60
|
3.6
|
2
|
5
|
83.83
|
5
|
|
|
(6R,7aS)-6-hydroxy-7a-pyridin-2-yl-6,7-dihydro-1-benzofuran-2-one
|
229.23
|
0.3
|
1
|
4
|
59.42
|
1
|
|
|
(1S,2R,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-2,14-diol
|
319.40
|
0.3
|
2
|
5
|
81.98
|
1
|
|
|
[(1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,15-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-14-yl] acetate
|
598.60
|
0
|
5
|
13
|
198.51
|
6
|
|
|
(1S,4R,6S,7Z,12S)-14,16-dihydroxy-1,5,5,8-tetramethyl-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.04,6.013,18]nonadeca-7,13,15,17-tetraene-15,17-dicarbaldehyde
|
454.60
|
6.6
|
2
|
5
|
83.83
|
4
|
|
|
4,5-Dimethoxy-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
|
342.40
|
3.9
|
0
|
5
|
53.99
|
2
|
|
|
[(1R,2R,8S,9R,10S,11S,12R,14R,16S,17S,19R)-10-acetyloxy-16-(furan-3-yl)-19-hydroxy-2,7,7,11,17-pentamethyl-5-oxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadec-3-en-9-yl] acetate
|
542.60
|
3.2
|
1
|
9
|
124.8
|
5
|
|
|
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-5-hydroxy-15-[(1R)-1-hydroxy-1-[(2R,3S)-3-hydroxy-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
486.60
|
2.7
|
3
|
7
|
116.59
|
2
|
|
|
[(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-15-(furan-2-carbonyloxy)-8-(furan-3-yl)-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]-2-methoxy-2-oxoethyl] furan-2-carboxylate
|
770.80
|
6.1
|
0
|
14
|
180.15
|
13
|
|
|
[(2R,3R,4S,5R,6R)-2-(acetyloxymethyl)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
798.70
|
-1.2
|
10
|
20
|
310.28
|
16
|
|
|
(1S,3R,5S,7S,9S,10S,12R,14R,15S,18R,19R,22S,23R)-9,10,22-trihydroxy-7-(hydroxymethyl)-18-methyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
|
548.60
|
-0.1
|
4
|
10
|
151.98
|
3
|
|
|
1-(2-Hydroxy-6-methylphenyl)-2-[1-(3-hydroxypropyl)pyrrolidin-2-yl]ethanone
|
277.36
|
2.4
|
2
|
4
|
60.77
|
6
|
|
|
[(1S,4S,5R,9S,10S,12S,13R)-13-hydroxy-5,9-dimethyl-16-methylidene-6,14-dioxo-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]methyl (E)-2-methylbut-2-enoate
|
414.50
|
3
|
1
|
5
|
80.67
|
4
|
|
|
2-[3-(3-Hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one
|
277.36
|
1.8
|
2
|
4
|
58.56
|
7
|
|
|
[(1R,3E,5R,7S,11R,12R,13S,14S)-1,11-diacetyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] pyridine-4-carboxylate
|
523.60
|
4.5
|
0
|
8
|
108.86
|
7
|
|
|
5-[(1R)-1-[(1S,3R,3aS,7aS)-3a-acetyl-3-hydroxy-7a-methyl-5-propan-2-yl-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
486.60
|
5.4
|
4
|
7
|
132.13
|
8
|
|
|
[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-2-[(1R)-2-methoxy-1-(2-methylpropanoyloxy)-2-oxoethyl]-1,3,7-trimethyl-15-(2-methylpropanoyloxy)-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-19-yl] (E)-2-methylbut-2-enoate
|
722.80
|
6.1
|
0
|
12
|
153.87
|
13
|
|
|
(E)-3-(4-methoxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
|
286.28
|
3.1
|
3
|
5
|
86.99
|
4
|
|
|
[(1S,4S,5R,9S,10S,12S,13R)-13-hydroxy-5,9-dimethyl-16-methylidene-6,14-dioxo-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]methyl butanoate
|
402.50
|
2.7
|
1
|
5
|
80.67
|
5
|
|
|
(2S,3S,4E)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxooxolane-3-carboxylic acid
|
326.30
|
2.3
|
3
|
6
|
104.06
|
3
|
|
|
[(1S,3S,8R,10R,12S,16S)-5-(acetyloxymethyl)-16-hydroxy-8-methoxy-10-methyl-6-oxo-7,13,15-trioxatetracyclo[8.4.1.11,12.04,8]hexadec-4-en-3-yl] 2-methylprop-2-enoate
|
452.50
|
-0.4
|
1
|
10
|
126.82
|
7
|
|
|
(2S,3R,4S,5S)-2-[[(3S,6S,7S,8S,11R,12S,15R,16R)-3-hydroxy-15-[(2R,4R)-4-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]oxy]oxane-3,4,5-triol
|
590.80
|
5.2
|
5
|
7
|
119.61
|
7
|
|
|
(2S,3R,4S,5S)-2-[[(3S,6S,7S,8S,11R,12S,15R,16R)-3-hydroxy-15-[(E,2R,4R)-4-hydroxy-5-propan-2-ylhept-5-en-2-yl]-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]oxy]oxane-3,4,5-triol
|
604.90
|
5.4
|
5
|
7
|
119.61
|
7
|
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