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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Hymexelsin
|
486.40
|
-2.1
|
6
|
13
|
197.74
|
7
|
|
|
11-Hydroxy-sugiol
|
316.40
|
5.3
|
2
|
3
|
57.53
|
1
|
|
|
Oleuroside
|
540.50
|
0
|
6
|
13
|
201.67
|
12
|
|
|
Secologanoside
|
390.34
|
-1.9
|
6
|
11
|
183.21
|
7
|
|
|
Ligustroside
|
524.50
|
-0.1
|
5
|
12
|
181.44
|
11
|
|
|
Nimbin PP
|
572.60
|
0.5
|
1
|
11
|
151.73
|
8
|
|
|
24-Hydroxy-3-epi-ursolic acid
|
472.70
|
6.7
|
3
|
4
|
77.76
|
2
|
|
|
10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
472.70
|
6.7
|
3
|
4
|
77.76
|
2
|
|
|
23-Hydroxyursolic Acid
|
472.70
|
6.7
|
3
|
4
|
77.76
|
2
|
|
|
Methyl 4a,5,7-trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
422.40
|
-3.1
|
7
|
12
|
195.6
|
5
|
|
|
6beta-Hydroxyipolamiide
|
422.40
|
-3.1
|
7
|
12
|
195.6
|
5
|
|
|
[(3aR,4R,5S,5aS,6S,8R,8aS,9R,9aS)-4,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] (Z)-2-methylbut-2-enoate
|
380.40
|
1.5
|
3
|
7
|
113.29
|
3
|
|
|
[(1S)-1-[(3aR,6S,7R,8aR)-5,7-dimethyl-3-methylidene-2-oxo-6,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxypropyl] acetate
|
308.40
|
2
|
1
|
5
|
72.83
|
5
|
|
|
(2S,3R)-3-methyl-2-(3-oxobutyl)-6-propan-2-ylidenecyclohexan-1-one
|
222.32
|
2.8
|
0
|
2
|
34.14
|
3
|
|
|
Jewenol A
|
338.50
|
2.1
|
4
|
4
|
80.92
|
7
|
|
|
(Z)-2-[2-[(1S,2R,4aR,9aR)-4a-hydroxy-6-(hydroxymethyl)-1,2-dimethyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulen-1-yl]ethyl]but-2-ene-1,4-diol
|
338.50
|
1.8
|
4
|
4
|
80.92
|
6
|
|
|
(1R,2R,4aS,5S,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
|
238.37
|
2.6
|
2
|
2
|
40.46
|
1
|
|
|
rac-Cubebin
|
356.40
|
3.4
|
1
|
6
|
66.38
|
4
|
|
|
(2S,3S,4S)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
|
356.40
|
3.4
|
1
|
6
|
66.38
|
4
|
|
|
3',4'-Dimethoxy-3',4'-desmethylenecubebin
|
372.40
|
3.5
|
1
|
6
|
66.38
|
6
|
|
|
(E)-5-[(1R,4S,4aR,8aS)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
320.50
|
5.1
|
2
|
3
|
57.53
|
4
|
|
|
Dihydrokolavenol
|
292.50
|
6.3
|
1
|
1
|
20.23
|
5
|
|
|
Dihydrokolavenol acetate
|
334.50
|
6.9
|
0
|
2
|
26.3
|
7
|
|
|
(4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl) acetate
|
466.70
|
9.2
|
0
|
2
|
26.3
|
2
|
|
|
[(3S,4aR,6aR,6bS,8aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl] acetate
|
466.70
|
9.2
|
0
|
2
|
26.3
|
2
|
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