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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(5-Hydroxy-6,10-dimethoxy-4-oxo-2-propylbenzo[h]chromen-8-yl) hydrogen sulfate
|
410.40
|
3.1
|
2
|
9
|
140.88
|
6
|
|
|
CID 101293615
|
472.70
|
5.3
|
3
|
4
|
77.76
|
5
|
|
|
(24r)-4alpha,14alpha,24-Trimethyl-5alpha-cholesta-8,25(27)-dien-3beta-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
5
|
|
|
Withaperuvin D
|
520.60
|
-0.3
|
5
|
9
|
153.75
|
2
|
|
|
(1S,2R,7S,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-ene-3,6-dione
|
500.60
|
1
|
3
|
8
|
133.66
|
2
|
|
|
Withaphysalin D
|
466.60
|
2.9
|
1
|
6
|
89.9
|
1
|
|
|
[(1R,2S,6R,7R,8R,11S,12R,14R)-11-acetyloxy-1,7-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] (Z)-2-methylbut-2-enoate
|
434.40
|
-0.6
|
2
|
9
|
131.89
|
5
|
|
|
[(1S,2S,6R,7R,8R,11S,12R,14S)-11-acetyloxy-7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] (Z)-2-methylbut-2-enoate
|
418.40
|
0.5
|
1
|
8
|
111.66
|
5
|
|
|
(1R,27R,29R,30R,47S)-6,7,8,15,16,17,21,29,35,36,37,40,41,42-tetradecahydroxy-2,12,19,25,28,31,46-heptaoxanonacyclo[25.20.0.04,9.010,23.011,20.013,18.030,47.033,38.039,44]heptatetraconta-4,6,8,10,13(18),14,16,20,22,33,35,37,39,41,43-pentadecaene-3,24,32,45-tetrone
|
906.60
|
1.7
|
14
|
25
|
416.11
|
0
|
|
|
(1S,2S,6S,7S,8R,11S,14S,15R,18R,20S)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
470.70
|
6.3
|
2
|
4
|
66.76
|
1
|
|
|
(1R,2S,6S,9S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
|
431.70
|
4.1
|
3
|
4
|
63.93
|
0
|
|
|
(1S,2S,3R,6Z,7S,9R,10S)-6-ethylidene-3-hydroxy-11,20-dimethyl-4,21-dioxa-11,20-diazahexacyclo[8.7.3.22,9.01,10.02,7.012,17]docosa-12,14,16-trien-22-one
|
382.50
|
1.3
|
1
|
6
|
62.24
|
0
|
|
|
5-Hydroxy-5a-cholestane-3,6-dione
|
416.60
|
6.6
|
1
|
3
|
54.37
|
5
|
|
|
CID 101297587
|
220.35
|
3.5
|
1
|
1
|
20.23
|
0
|
|
|
(2S,4S,6R,7R,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
|
328.40
|
1.9
|
1
|
4
|
50.8
|
2
|
|
|
[(3aR,4aR,6R,7R,8aS,9aR)-6-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] (Z)-2-methylbut-2-enoate
|
346.40
|
2.7
|
1
|
5
|
72.83
|
3
|
|
|
methyl (1R,2S,3R,11S,12R,13R,15R)-12-hydroxy-14-oxo-10,17-diazaheptacyclo[9.9.2.01,13.02,17.03,11.03,15.04,9]docosa-4,6,8-triene-10-carboxylate
|
380.40
|
1.1
|
1
|
5
|
70.08
|
1
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-5-ethyl-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
508.70
|
1.6
|
6
|
7
|
138.45
|
7
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-2,3-dihydroxy-5-(2-hydroxyethyl)-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
508.70
|
1.4
|
6
|
7
|
138.45
|
7
|
|
|
(3I(2),4I+/-,20I(2))-3,23-Dihydroxyolean-12-ene-28,29-dioic acid
|
502.70
|
5.2
|
4
|
6
|
115.06
|
3
|
|
|
[(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
514.70
|
6.6
|
1
|
5
|
68.29
|
4
|
|
|
(1R,2S,4aS,8aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
|
308.50
|
5.1
|
2
|
2
|
40.46
|
4
|
|
|
Aristola-1(10),8-dien-2-one
|
216.32
|
3.1
|
0
|
1
|
17.07
|
0
|
|
|
methyl (1R,9R,11S,14Z,15R,17S,19S)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
|
338.40
|
2.1
|
1
|
5
|
50.8
|
2
|
|
|
[(3aR,4aR,6R,7R,8aS,9aR)-6-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] acetate
|
306.40
|
1.5
|
1
|
5
|
72.83
|
2
|
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