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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,12R,19R)-12-ethyl-19-hydroxy-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-2,4,6-trien-9-one
|
314.40
|
2.2
|
2
|
3
|
52.57
|
1
|
|
|
[(1S,2R,4R,6S,7S,8R,9R,12R)-9-[(2R)-2,3-dimethylbutanoyl]oxy-2,4,12-trihydroxy-2,6,14,14-tetramethyl-10-methylidene-3,13-dioxo-7-tricyclo[10.3.0.04,8]pentadecanyl] benzoate
|
584.70
|
3.9
|
3
|
9
|
147.43
|
7
|
|
|
[(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] propanoate
|
606.70
|
1.9
|
0
|
12
|
157.8
|
12
|
|
|
[(5R,6R,8R,9S,10R,13R,14S,15S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,14-dihydroxy-5-methoxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
|
542.70
|
2.5
|
2
|
8
|
119.36
|
5
|
|
|
(2R)-4,5-dimethyl-2-[(1S)-1-[(5R,6R,8R,9S,10R,13R,14S,15S)-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
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
580.60
|
0.4
|
5
|
13
|
174.99
|
9
|
|
|
4-[(4R,6R)-6-[(3S,7S,8R,9S,10S,13R,14S,17R)-3-hydroxy-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-yl]oxy-4-oxobutanoic acid
|
572.80
|
7.3
|
2
|
6
|
93.06
|
10
|
|
|
[(2R,3S,4S,5R,6S)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
476.40
|
1
|
6
|
11
|
183.21
|
8
|
|
|
(2R)-5-hydroxy-2-(3-hydroxy-4-methylpent-4-enyl)-8-(4-hydroxyphenyl)-2-methylpyrano[3,2-g]chromen-6-one
|
420.50
|
4.9
|
3
|
6
|
100.13
|
5
|
|
|
(1S,4aS,5S,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
446.40
|
-2
|
6
|
11
|
175.37
|
9
|
|
|
[(1R,2R,3R,4S,5S,7R,8R,9S,10R,14R)-2,8-diacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
|
540.60
|
4.4
|
1
|
8
|
116.2
|
7
|
|
|
methyl (1S,1'R,2R,4'R,5'R,7R)-4-oxo-1'-pentanoyl-5'-propylspiro[3,8,9-trioxatricyclo[5.2.2.01,5]undec-5-ene-2,6'-bicyclo[2.2.2]oct-2-ene]-2'-carboxylate
|
444.50
|
3.4
|
0
|
7
|
88.13
|
8
|
|
|
[(1S,2R,7S,9R,11R,12S,13S,15R,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
|
512.60
|
3.6
|
1
|
7
|
102.43
|
4
|
|
|
[(1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-3a,6,8-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
|
|
|
[(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-15-acetyloxy-7-hydroxy-5,9,11,11-tetramethyl-4-(2-methylpropanoyloxy)-1-(2-methylpropanoyloxymethyl)-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate
|
668.80
|
5
|
1
|
11
|
151.73
|
12
|
|
|
(1R)-1-[(2S,4S,5R)-5-ethoxy-4-[(3S,5R,10S,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-yl]-2-methylpropane-1,2-diol
|
516.80
|
5.3
|
3
|
5
|
79.15
|
5
|
|
|
(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,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
|
|
|
[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-15-(2-methylpropanoyloxy)-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-5-yl] pyridine-3-carboxylate
|
813.80
|
2.5
|
0
|
17
|
223.29
|
17
|
|
|
1,3-Benzodioxole, 5-[2-[2,6-dimethoxy-4-(2-propenyl)phenoxy]propyl]-, (R)-
|
356.40
|
5.1
|
0
|
5
|
46.15
|
8
|
|
|
1-(2,7-Dihydroxy-4-methoxyphenanthren-1-yl)-4,6-dimethoxyphenanthrene-2,7-diol
|
508.50
|
7
|
4
|
7
|
108.61
|
4
|
|
|
[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-1-(acetyloxymethyl)-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
|
656.70
|
3.5
|
1
|
12
|
168.8
|
12
|
|
|
9,10-Dihydroxy-2,2-dimethyl-12-(3-methyl-6-propan-2-ylidenecyclohex-3-en-1-yl)pyrano[3,2-b]xanthen-6-one
|
444.50
|
5.6
|
2
|
5
|
79.9
|
1
|
|
|
ethyl 3-[(3S,3aS,5aR,6R,7R,9bS)-3-[(E,2S)-7-hydroxy-6-methylhept-5-en-2-yl]-7-(2-hydroxypropan-2-yl)-3a,6,9b-trimethyl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoate
|
502.80
|
7.4
|
2
|
4
|
66.76
|
11
|
|
|
(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-10-benzoyloxy-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
576.80
|
9.5
|
2
|
5
|
83.83
|
5
|
|
|
5-[(1R)-1-[(1S,4S,6S,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
454.60
|
7.9
|
3
|
5
|
94.83
|
7
|
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