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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
|
360.60
|
6.1
|
1
|
2
|
37.3
|
1
|
|
|
11-Methoxyerythraline
|
343.40
|
1.9
|
0
|
5
|
40.16
|
2
|
|
|
(5R,5aR,8aS,9R)-5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
|
266.33
|
0.7
|
2
|
4
|
66.76
|
0
|
|
|
Sambacolignoside
|
922.90
|
-2.2
|
9
|
22
|
317.74
|
16
|
|
|
2-[(2S,3E,4R)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetic acid
|
404.40
|
-2
|
5
|
11
|
172.21
|
7
|
|
|
1-Hydroxypinoresinol 1-O-glucoside
|
536.50
|
-0.4
|
6
|
12
|
176.76
|
7
|
|
|
2-[(2R,4aS,6S,8aS)-6-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
|
250.33
|
2.8
|
2
|
3
|
57.53
|
2
|
|
|
2-[(2R,4aS,6S,8aS)-6-acetyloxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
|
292.40
|
3.4
|
1
|
4
|
63.6
|
4
|
|
|
19-Hydroxymanoyl oxide
|
306.50
|
4.5
|
1
|
2
|
29.46
|
2
|
|
|
[(3R,4aS,6aS,7R,10aR,10bS)-3-ethenyl-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl]methanol
|
306.50
|
4.5
|
1
|
2
|
29.46
|
2
|
|
|
Jhanol
|
306.50
|
4.5
|
1
|
2
|
29.46
|
2
|
|
|
(2S,4aS,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
|
286.50
|
5.5
|
1
|
1
|
20.23
|
1
|
|
|
(3S,4aR,6aS,6bR,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1H-picen-3-ol
|
424.70
|
8.7
|
1
|
1
|
20.23
|
0
|
|
|
[(3S,4aR,6aS,6bR,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1H-picen-3-yl] acetate
|
466.70
|
9.3
|
0
|
2
|
26.3
|
2
|
|
|
(1S,3aR,5aS,5bR,7aR,9S,11aR,11bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
8.8
|
1
|
1
|
20.23
|
1
|
|
|
(1S,3aS,5aS,5bR,7aR,9S,11aR,11bR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
456.70
|
7.3
|
2
|
3
|
57.53
|
2
|
|
|
Sterebin E
|
338.50
|
3
|
4
|
4
|
80.92
|
3
|
|
|
Sterebin F
|
338.50
|
3
|
4
|
4
|
80.92
|
3
|
|
|
Sterebin G
|
354.50
|
2.1
|
5
|
5
|
101.15
|
4
|
|
|
3,3,10-trimethyl-7H-pyrano[2,3-c]carbazole
|
263.30
|
4.7
|
1
|
1
|
25.02
|
0
|
|
|
Glycomaurrol
|
265.30
|
5.3
|
2
|
1
|
36.02
|
2
|
|
|
(2S,4R,5'S)-5',10,11-trimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one
|
329.40
|
1.4
|
1
|
5
|
56.79
|
3
|
|
|
(-)-Nuciferoline
|
311.40
|
3.1
|
1
|
4
|
41.93
|
2
|
|
|
19-(2-hydroxy-5-oxo-2H-furan-4-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
|
502.50
|
0.5
|
1
|
10
|
137.96
|
1
|
|
|
12-hydroxy-19-(2-hydroxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione
|
518.50
|
-0.5
|
2
|
11
|
158.19
|
1
|
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