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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol
|
236.35
|
2.4
|
2
|
2
|
40.46
|
0
|
|
|
4-Oxo-4-[[(1S,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid
|
384.40
|
2.5
|
1
|
8
|
100.52
|
5
|
|
|
Rulepidadiene A
|
202.33
|
4.4
|
0
|
0
|
0
|
0
|
|
|
6,7,9,9-Tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane-11,12-dione
|
248.32
|
2.1
|
0
|
3
|
46.67
|
0
|
|
|
Kanshone C
|
248.32
|
2.1
|
0
|
3
|
46.67
|
0
|
|
|
Aconitane-1,7,8,14-tetrol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, (1alpha,14alpha,16beta)-
|
423.50
|
-0.7
|
4
|
7
|
102.62
|
4
|
|
|
Furospongin 2
|
326.40
|
5.4
|
0
|
3
|
43.35
|
10
|
|
|
Randilongin
|
613.00
|
18.3
|
1
|
3
|
46.53
|
34
|
|
|
(3a,5a,5b,8,8,11a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysen-9-yl) acetate
|
468.80
|
9.3
|
0
|
2
|
26.3
|
3
|
|
|
3a,5a,5b,8,8,11a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
8.7
|
1
|
1
|
20.23
|
1
|
|
|
Quinoside A
|
1091.20
|
-0.3
|
14
|
23
|
374.13
|
13
|
|
|
Loquatoside
|
438.40
|
-1.2
|
8
|
11
|
189.53
|
3
|
|
|
Hydron;2-oxopentanedioate
|
146.10
|
|
2
|
5
|
97.33
|
2
|
|
|
Pimara-8,15-dien-18-oic acid
|
302.50
|
5
|
1
|
2
|
37.3
|
2
|
|
|
(r)-2,10-Dimethoxy-11-hydroxyaporphine
|
311.40
|
2.6
|
1
|
4
|
41.93
|
2
|
|
|
Buntansin A
|
220.18
|
1.4
|
1
|
5
|
76.74
|
2
|
|
|
3,4,5,6-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
|
393.50
|
4.7
|
0
|
5
|
40.16
|
4
|
|
|
Euphoscopin A
|
540.60
|
4.3
|
1
|
8
|
116.2
|
7
|
|
|
[(1S,2R,3aR,4R,5S,6E,11R,12E,13aS)-3a,4-diacetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
540.60
|
4.3
|
1
|
8
|
116.2
|
7
|
|
|
[(1S,2S,3aR,4R,5S,6E,11R,12E,13aS)-3a,4-diacetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
540.60
|
4.3
|
1
|
8
|
116.2
|
7
|
|
|
[(1S,2S,3aR,4R,5R,6E,11R,12E,13aS)-3a,4-diacetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
540.60
|
4.3
|
1
|
8
|
116.2
|
7
|
|
|
[(1S,2R,3aR,4R,5R,6E,11R,12E,13aS)-3a,4,11-triacetyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
582.70
|
4.8
|
0
|
9
|
122.27
|
9
|
|
|
[(1S,2R,3aR,4R,5S,6E,11R,12E,13aS)-3a,4,11-triacetyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
582.70
|
4.8
|
0
|
9
|
122.27
|
9
|
|
|
euphornin H
|
582.70
|
4.8
|
0
|
9
|
122.27
|
9
|
|
|
[(1S,2S,3aR,4R,5R,6E,11R,12E,13aS)-3a,4,11-triacetyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
582.70
|
4.8
|
0
|
9
|
122.27
|
9
|
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