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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S,4S,8R,10R,12R)-2,12-dimethyl-7-methylidene-5,11,13,14-tetraoxatetracyclo[10.2.2.01,10.04,8]hexadec-15-en-6-one
|
278.30
|
1.9
|
0
|
5
|
53.99
|
0
|
|
|
Pondaplin
|
230.26
|
2.4
|
0
|
3
|
35.53
|
0
|
|
|
[(1R,2S,3S,7S,9R,12R,13R,14S,15R,16R,17S)-3,13,15,16-tetrahydroxy-2,6,14,17-tetramethyl-4,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-en-12-yl] acetate
|
438.50
|
-0.4
|
4
|
9
|
150.59
|
2
|
|
|
5-[(E)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol
|
412.60
|
8.3
|
4
|
4
|
80.92
|
14
|
|
|
[(1R,2S,3E,5S,7S,8E,10R,13S)-2,7,9,10,13-pentaacetyloxy-4-(acetyloxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
|
827.90
|
2.1
|
1
|
16
|
207.57
|
19
|
|
|
Taxachitriene A
|
636.70
|
0.6
|
1
|
13
|
178.03
|
13
|
|
|
methyl (2R,4aR,6S,6aS,6aS,14aS,14bR)-6,10-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
|
480.60
|
4.9
|
2
|
5
|
83.83
|
2
|
|
|
9-methoxy-3,3,10-trimethyl-7H-pyrano[2,3-c]carbazole
|
293.40
|
4.6
|
1
|
2
|
34.25
|
1
|
|
|
[(3R,3aS,6Z,9S,10Z,11aS)-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] acetate
|
292.40
|
2.4
|
0
|
4
|
52.6
|
2
|
|
|
(1R,3R,7R,9S,11R,13S)-11-benzoyl-3-(2-hydroxypropan-2-yl)-6,6,10,10-tetramethyl-13-(3-methylbut-2-enyl)-4,5-dioxatetracyclo[9.3.1.19,13.01,7]hexadecane-12,14,15-trione
|
550.70
|
5.6
|
1
|
7
|
106.97
|
5
|
|
|
[(1'R,2R,3'E,5'S,7'S,11'R,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-13'-yl] 2-phenylacetate
|
552.70
|
4.7
|
0
|
8
|
108.5
|
8
|
|
|
[(1R,3E,5S,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-3-carboxylate
|
523.60
|
4.5
|
0
|
8
|
108.86
|
7
|
|
|
(3R,4R)-4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
|
416.40
|
3.4
|
1
|
8
|
92.68
|
7
|
|
|
(1S,3E,4R)-3-[2-[(1R,3aS,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethylidene]-4-methylcyclohexan-1-ol
|
414.70
|
8.9
|
1
|
1
|
20.23
|
8
|
|
|
2-[(E)-11-(3,3-dimethylcyclohexyl)-4,8-dimethylundec-1-enyl]-1,3,3-trimethylcyclohexene
|
414.70
|
11.9
|
0
|
0
|
0
|
11
|
|
|
(4,9-dihydroxy-10-methyl-12-oxo-6H-chromeno[3,4-b]chromen-6-yl) pentanoate
|
396.40
|
3.8
|
2
|
7
|
106.2
|
5
|
|
|
[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(6R)-2-methyl-6-[(8R,9R,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptoxy]oxan-3-yl] benzoate
|
709.00
|
8.2
|
3
|
8
|
122.52
|
12
|
|
|
(2Z)-2-[(1R,3S,5R,10R,14S)-14-hydroxy-14-methyl-3-[(1Z,3E,5E)-2,6,10-trimethylundeca-1,3,5,9-tetraenyl]-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
|
468.70
|
6.1
|
1
|
4
|
55.76
|
7
|
|
|
3-[(3,4-Dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
|
416.50
|
3.9
|
0
|
7
|
72.45
|
9
|
|
|
methyl (2R,5R,6S,8S,9S,10R)-14-[(1R,9S,12R,13Z,18R)-13-ethylidene-4-methoxy-18-methoxycarbonyl-6-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-trien-5-yl]-15-methoxy-6,18-dimethyl-3-(2-methylpropanoyl)-7-oxa-3,18-diazapentacyclo[9.7.0.02,8.05,9.012,17]octadeca-1(11),12,14,16-tetraene-10-carboxylate
|
793.00
|
5
|
1
|
10
|
120.8
|
8
|
|
|
methyl (2R,5R,6S,8S,9S,10R)-14-[(1R,9S,12R,13Z,18R)-13-ethylidene-4-methoxy-18-methoxycarbonyl-6,8-dimethyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-trien-5-yl]-15-methoxy-6,18-dimethyl-3-(2-methylpropanoyl)-7-oxa-3,18-diazapentacyclo[9.7.0.02,8.05,9.012,17]octadeca-1(11),12,14,16-tetraene-10-carboxylate
|
807.00
|
5.1
|
0
|
10
|
112.01
|
8
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3S,4S,5S,6R)-2-[(1R,2S,3'S,4S,5'S,6S,7S,8S,9S,12S,13R,16S)-3',8-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
871.00
|
-0.3
|
10
|
17
|
266.91
|
6
|
|
|
3-ethyl-4-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrrole-2,5-dione
|
301.29
|
-1.5
|
4
|
7
|
127.53
|
3
|
|
|
(1R,3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-1-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
1
|
|
|
19alpha-Hydroxyfern-7-ene
|
426.70
|
9.2
|
1
|
1
|
20.23
|
1
|
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