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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,8R,9S,12S,15S,16R)-8,15-dihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11,14-trione
|
362.40
|
-0.2
|
2
|
7
|
114.04
|
1
|
|
|
methyl (2R)-4-hydroxy-2-[[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
|
440.40
|
2.8
|
3
|
8
|
122.52
|
5
|
|
|
methyl (1S,2S,6S,8aR)-6-[(2R,4R,5S,6R)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-2-[3-[(2S,3R,4R)-2,4-dimethyl-5-oxooxolan-3-yl]propanoyl]-8a-methyl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylate
|
578.70
|
3.1
|
0
|
10
|
123.66
|
11
|
|
|
(4S)-5,8-dihydroxy-4-(1H-indol-3-yl)-3,4-dihydro-2H-naphthalen-1-one
|
293.30
|
3.4
|
3
|
3
|
73.32
|
1
|
|
|
[(1R,3aR,3bR,4R,5aR,10aR,10bR,12aS)-1-[(2R)-2-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-5-oxo-2H-furan-4-yl]-3b,6,6,10a,12a-pentamethyl-3,8-dioxo-2,3a,4,5,5a,10b,11,12-octahydro-1H-indeno[5,4-g][2]benzoxepin-4-yl] acetate
|
586.70
|
3.8
|
1
|
9
|
125.43
|
6
|
|
|
(1S,2R,7S,10R,11S,13R,15R,16R,19R)-1,13-dihydroxy-7-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-en-12-one
|
506.60
|
1.6
|
3
|
8
|
114.68
|
3
|
|
|
methyl 3-[(3S,3aS,5aR,6R,7R,9bS)-7-(2-hydroxypropan-2-yl)-3a,6,9b-trimethyl-3-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoate
|
522.80
|
4.8
|
4
|
6
|
107.22
|
10
|
|
|
(E)-5-[(4aR,5R,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
334.40
|
3.4
|
2
|
4
|
74.6
|
5
|
|
|
3-[[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-19-oxo-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]-3-oxopropanoic acid
|
570.80
|
6.7
|
1
|
7
|
99.13
|
9
|
|
|
methyl (1S,14S,15R,17S,18S)-17-ethyl-6-[(1R,12R,13R,14S,15E)-15-ethylidene-13-methoxycarbonyl-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-1-yl]-14-(2-oxopropyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
|
729.90
|
5.2
|
2
|
6
|
104.49
|
8
|
|
|
(4R)-5,8-dihydroxy-4-(1H-indol-3-yl)-3,4-dihydro-2H-naphthalen-1-one
|
293.30
|
3.4
|
3
|
3
|
73.32
|
1
|
|
|
(Z)-5-[(1S,4aR,5S,8aR)-5-(formyloxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
348.50
|
5.5
|
1
|
4
|
63.6
|
7
|
|
|
3-[(1R,2R,6S)-2-[2-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethyl]-1-methyl-6-prop-1-en-2-ylcyclohexyl]propanoic acid
|
442.70
|
7.7
|
1
|
3
|
54.37
|
7
|
|
|
[(1R,13R,15R,18S)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate
|
373.40
|
1.8
|
0
|
7
|
66.46
|
4
|
|
|
(3R,4S)-4-[(2R,3R)-2,3-dihydroxy-3-[(8R,9S,10R,13R,14R,17S)-14-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-17-yl]butyl]-3-methyloxolan-2-one
|
472.60
|
2.8
|
3
|
6
|
104.06
|
4
|
|
|
5,7-Dihydroxy-3-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
|
368.40
|
4.5
|
2
|
6
|
89.13
|
5
|
|
|
(1R,9S,10R,14S,15R)-5,15-dihydroxy-3,13-dimethoxy-4,10-dimethyl-14-(3-oxo-3-phenylpropyl)-9-phenyl-8-oxatetracyclo[7.5.1.110,14.02,7]hexadeca-2(7),3,5,12-tetraene-11,16-dione
|
568.60
|
3.8
|
2
|
8
|
119.36
|
7
|
|
|
(1S,2R,7S,10R,11S,13R,15R,16R,19S)-1-hydroxy-7-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-en-12-one
|
490.60
|
2.4
|
2
|
7
|
94.45
|
3
|
|
|
[(2R,3S,4R,6R)-6-[[(1R,2S,7S,10R,11R,13R,15R,16R,19S)-1,2-dihydroxy-10,15,19-trimethyl-12-oxo-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-en-7-yl]oxy]-4-methoxy-2-methyloxan-3-yl] acetate
|
548.70
|
1.9
|
2
|
9
|
120.75
|
5
|
|
|
(4aS,6aS,6bR,8aS,10S,12S,12aR,14aS,14bS)-12-hydroxy-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
|
618.80
|
9.1
|
3
|
6
|
104.06
|
5
|
|
|
[(2R,3R,3aE,5S,8S,9E,11R,12aS)-5-hydroxy-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-2,3,7,8,11,12a-hexahydro-1H-cyclopenta[11]annulen-3-yl] acetate
|
374.50
|
2.9
|
1
|
5
|
80.67
|
3
|
|
|
(2R,3R,3aE,5R,8S,9E,11R,12aS)-3-hydroxy-2,5,11-trimethyl-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulene-6,12-dione
|
316.40
|
3.3
|
1
|
3
|
54.37
|
1
|
|
|
(1R,2S,4R,7R,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,5,6,7,8,8a-hexahydro-1H-azulene-2,4-diol
|
236.35
|
2.3
|
2
|
2
|
40.46
|
1
|
|
|
[(1S,3E,5R,7S,10R,11E,13R,14R)-3,6,6,10,14-pentamethyl-2,9-dioxo-13-tricyclo[10.3.0.05,7]pentadeca-3,11-dienyl] acetate
|
358.50
|
3.2
|
0
|
4
|
60.44
|
2
|
|
|
3-[[(1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]-3-oxopropanoic acid
|
586.80
|
7
|
1
|
7
|
91.29
|
10
|
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