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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,4S,8R,9R,10S)-9-[(3R)-3-hydroxy-4-methylpent-4-enyl]-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
568.80
|
6.9
|
2
|
6
|
100.9
|
11
|
|
|
(1S,4S,5R,8S,9S,10R,13R)-8-hydroxy-5-methoxycarbonyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
|
362.50
|
3.7
|
2
|
5
|
83.83
|
3
|
|
|
[(1R,2R,4R,6R,8S,9Z,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
436.50
|
0
|
2
|
9
|
131.89
|
7
|
|
|
(1S,4R,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-11-[(E)-4-methoxy-4-methylpent-2-enyl]-11-methyl-8,10-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
582.80
|
6.8
|
1
|
6
|
89.9
|
11
|
|
|
(1R,4S,5S,8S,9R,10S)-5-hydroxy-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
568.80
|
7.5
|
2
|
6
|
100.9
|
10
|
|
|
(1R,4S,8R,9R,10S)-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methyl-3-oxopentyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
568.80
|
6.6
|
1
|
6
|
97.74
|
11
|
|
|
(1S,4S,8R,10S,11R)-11-[(3S)-3-hydroxy-4-methylpent-4-enyl]-4-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
568.80
|
6.9
|
2
|
6
|
100.9
|
11
|
|
|
(1S,4S,5S,8R,10S,11R)-5-hydroxy-4-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
568.80
|
7.5
|
2
|
6
|
100.9
|
10
|
|
|
(9S,11bR)-7,11-dihydroxy-5-methoxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one
|
358.40
|
5.1
|
2
|
5
|
75.99
|
1
|
|
|
(1S,3S,8R,9R,10S)-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methyl-3-oxopentyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
|
568.80
|
6.7
|
1
|
6
|
97.74
|
11
|
|
|
(4aR,6S,10aS,11R,11aS,11bR)-6,10a,11-trihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one
|
348.40
|
1.7
|
3
|
5
|
86.99
|
0
|
|
|
(1S,4S,8R,10S,11R)-11-[(3R)-3-hydroxy-4-methylpent-4-enyl]-4-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
568.80
|
6.9
|
2
|
6
|
100.9
|
11
|
|
|
1-[(3S,4S)-3,4-dihydroxy-5,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]ethanone
|
296.31
|
0.4
|
2
|
6
|
85.22
|
3
|
|
|
(1R,4R,8R,9R,10S)-9-[(3R)-3-hydroxy-4-methylpent-4-enyl]-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
568.80
|
6.9
|
2
|
6
|
100.9
|
11
|
|
|
(4aR,6S,10aS,11R,11aS,11bR)-6,10a,11-trihydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,3,4a,5,6,11,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one
|
364.40
|
1
|
4
|
6
|
107.22
|
1
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E,6S,7R)-6,7-dihydroxytetradeca-2,4-dienoate
|
644.80
|
3.4
|
5
|
10
|
170.82
|
15
|
|
|
(5Z)-5-(2-oxopropylidene)-3-[(1S,3S,8R,11S,12S,15S,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]pyrrol-2-one
|
447.60
|
5.5
|
1
|
3
|
63.24
|
2
|
|
|
[(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (Z)-octadec-9-enoate
|
654.90
|
8.8
|
2
|
7
|
110.13
|
20
|
|
|
[(1S,5S)-2,6-dimethyl-4-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-bicyclo[3.1.1]hept-2-enyl]methyl benzoate
|
448.50
|
-0.1
|
4
|
9
|
142.75
|
7
|
|
|
(1S,4R,5R,8R,10S,11R)-5-hydroxy-4-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
568.80
|
7.5
|
2
|
6
|
100.9
|
10
|
|
|
(3R,4S)-4-[(2R,3S)-3-[(8R,9S,10R,13S,14R,17S)-14,17-dihydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-dihydroxybutyl]-3-methyloxolan-2-one
|
488.60
|
2.2
|
4
|
7
|
124.29
|
4
|
|
|
(2R)-2-[(1S)-1-hydroxy-1-[(7S,8S,9S,10R,13S,14R,17S)-7,14,17-trihydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
|
486.60
|
1.2
|
4
|
7
|
124.29
|
2
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-2-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
760.90
|
1.5
|
5
|
14
|
223.42
|
11
|
|
|
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
572.50
|
1.8
|
8
|
13
|
223.67
|
10
|
|
|
(1R,2S,7S,10R,11R,13R,16R,19S)-1,2-dihydroxy-7-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-en-12-one
|
668.80
|
-0.3
|
6
|
13
|
193.83
|
6
|
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