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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(3R,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
714.80
|
-1.2
|
9
|
15
|
245.29
|
8
|
|
|
(1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,2,2-trifluoroacetic acid
|
703.70
|
|
5
|
15
|
144.35
|
5
|
|
|
[(Z,11S,16S)-11,16,18-trihydroxyoctadec-9-en-12,14-diynyl] acetate
|
350.40
|
2.8
|
3
|
5
|
86.99
|
14
|
|
|
[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-7-(furan-3-carbonyloxy)-2-hydroxy-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate
|
590.60
|
1.1
|
2
|
13
|
181.17
|
11
|
|
|
1-O-methyl 2-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methyl] (1R,2S,3R,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
918.80
|
1.5
|
10
|
20
|
322.03
|
14
|
|
|
[(1R,2S,3S,4S,7S,8R,9R)-9-acetyloxy-3,12-bis(hydroxymethyl)spiro[10-oxatricyclo[6.4.0.02,4]dodec-11-ene-7,2'-oxirane]-3-yl]methyl (E)-3-phenylprop-2-enoate
|
470.50
|
1.3
|
2
|
8
|
114.82
|
9
|
|
|
(1S,4S,4aR,8R,11E,12aS)-1-(2-hydroxypropan-2-yl)-4,11-dimethyl-7-methylidene-2,3,4,4a,5,6,8,9,10,12a-decahydro-1H-benzo[10]annulen-8-ol
|
306.50
|
3.8
|
2
|
2
|
40.46
|
1
|
|
|
[(1S,3R,4S,5R,7S,8S,10R,12S,13S)-13-(furan-3-yl)-5,10-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] (2S)-2-methylbutanoate
|
586.70
|
3
|
2
|
9
|
132.5
|
8
|
|
|
(4R,5S)-4,5-dihydroxy-5-[(Z,2S)-2-hydroxyheptadec-12-enyl]cyclohex-2-en-1-one
|
380.60
|
5.7
|
3
|
4
|
77.76
|
15
|
|
|
(1S,3R,4S,8S,11R,12S)-3,12-dihydroxy-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-6-ene-5,13-dione
|
334.40
|
2
|
2
|
4
|
74.6
|
1
|
|
|
4-O-ethyl 1-O-methyl (E)-2-[(3S,4R)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]but-2-enedioate
|
424.40
|
1.2
|
3
|
11
|
165.89
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(E)-2-[(2R,3S)-3-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-4,6-dihydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
810.70
|
1.1
|
13
|
18
|
309.14
|
10
|
|
|
(5R,8R,9R,10R,13R,14R,17Z)-17-[(Z)-1,7-dihydroxy-6-methylhept-5-en-2-ylidene]-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
|
456.70
|
6.5
|
2
|
3
|
57.53
|
5
|
|
|
3-O-[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-hydroxy-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-O-methyl propanedioate
|
572.80
|
5.3
|
2
|
7
|
110.13
|
10
|
|
|
1-O-methyl 2-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl] (1R,2S,3R,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
756.70
|
3.3
|
7
|
15
|
242.88
|
11
|
|
|
1-O-methyl 2-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methyl] (1R,2R,3R,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
918.80
|
1.5
|
10
|
20
|
322.03
|
14
|
|
|
(2S)-2-[1-[(1S,2S,5R,6R,9R,10R,13R,15S,19S)-15,19-dihydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]ethenyl]-5-methyl-2,3-dihydropyran-6-one
|
484.70
|
6.4
|
2
|
5
|
75.99
|
2
|
|
|
(3R)-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-ol
|
340.40
|
4.9
|
2
|
4
|
58.92
|
4
|
|
|
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-1,3a,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-9-yl] pyridine-3-carboxylate
|
761.80
|
5.3
|
0
|
14
|
187.76
|
14
|
|
|
(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
550.60
|
0.2
|
5
|
10
|
162.98
|
5
|
|
|
(6R)-6-hydroxy-5,5,6-trimethyl-3-oxocyclohexene-1-carboxylic acid
|
198.22
|
0.6
|
2
|
4
|
74.6
|
1
|
|
|
[(1S,3R,4E,6R,7S,8E,10R,11S)-7-acetyloxy-4-(acetyloxymethyl)-6-hydroxy-11-(hydroxymethyl)-8,11-dimethyl-3-bicyclo[8.1.0]undeca-4,8-dienyl] 3-phenylpropanoate
|
500.60
|
1.8
|
2
|
8
|
119.36
|
11
|
|
|
diethyl (E)-2-[(3S,4R)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]but-2-enedioate
|
438.40
|
1.5
|
3
|
11
|
165.89
|
10
|
|
|
3-[(3R,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
714.80
|
-1.2
|
9
|
15
|
245.29
|
8
|
|
|
[(1S,3R,4S,5R,7S,8S,10R,12S,13S)-13-(furan-3-yl)-5,10-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] (2R)-2-methylbutanoate
|
586.70
|
3
|
2
|
9
|
132.5
|
8
|
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