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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,2,10,15,19,19-Hexamethyl-7-propan-2-yl-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosane
|
426.70
|
9.6
|
0
|
1
|
12.53
|
1
|
|
|
2,5-Dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-1,8a-dicarbaldehyde
|
302.50
|
4.6
|
0
|
2
|
34.14
|
5
|
|
|
(4aS,5S,8aR)-2,5-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-1,8a-dicarbaldehyde
|
302.50
|
4.6
|
0
|
2
|
34.14
|
5
|
|
|
(1R,4aS,5R,8aS)-3-methyl-8-methylidene-5-propan-2-yl-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
|
220.35
|
3.2
|
1
|
1
|
20.23
|
1
|
|
|
1a-Methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-ol
|
236.35
|
2.6
|
1
|
2
|
32.76
|
1
|
|
|
(1aS,3R,3aS,7R,7aR,7bR)-1a-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-ol
|
236.35
|
2.6
|
1
|
2
|
32.76
|
1
|
|
|
(1S,4R,4aR,6R,8aS)-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1,6-diol
|
240.38
|
2.8
|
2
|
2
|
40.46
|
1
|
|
|
(1R,4aS,5R,7S,8aS)-3-methyl-8-methylidene-5-propan-2-yl-2,4a,5,6,7,8a-hexahydro-1H-naphthalene-1,7-diol
|
236.35
|
1.9
|
2
|
2
|
40.46
|
1
|
|
|
(1R,4aS,5R,8S,8aR)-3,8-dimethyl-5-propan-2-yl-2,4a,5,6,7,8a-hexahydro-1H-naphthalene-1,8-diol
|
238.37
|
2.4
|
2
|
2
|
40.46
|
1
|
|
|
Maltoxazine
|
179.22
|
0.5
|
0
|
3
|
29.54
|
0
|
|
|
6-(12-Ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-8-yl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-one
|
442.50
|
2.5
|
3
|
7
|
93.47
|
3
|
|
|
Deethyaconitine
|
617.70
|
-0.6
|
4
|
12
|
162.24
|
10
|
|
|
Tiliarine
|
562.70
|
5.8
|
1
|
7
|
63.63
|
2
|
|
|
beta-D-Galactopyranoside, (3beta,5alpha,22beta,25S)-spirosolan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-
|
902.10
|
0.9
|
11
|
18
|
278.94
|
9
|
|
|
(3R,3aR,7S,8aR)-3,7-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,7,8-tetrahydro-1H-azulen-4-one
|
252.35
|
1.4
|
2
|
3
|
57.53
|
1
|
|
|
Nimbocinol
|
408.50
|
4.3
|
1
|
4
|
67.51
|
1
|
|
|
[6-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
|
484.60
|
3.4
|
2
|
7
|
110.13
|
3
|
|
|
[7-acetyloxy-12-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] 2-hydroxy-2-methylpropanoate
|
586.70
|
2.1
|
3
|
10
|
156.66
|
6
|
|
|
[(5R,7R,8R,9R,10S,11S,12R,13S,17R)-7-acetyloxy-12-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] 2-hydroxy-2-methylpropanoate
|
586.70
|
2.6
|
3
|
10
|
156.66
|
6
|
|
|
methyl 2-[6-(2-hydroxy-5-oxo-2H-furan-4-yl)-7,9,11,15-tetramethyl-14-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,12-dien-10-yl]acetate
|
484.50
|
1.1
|
1
|
8
|
108.36
|
4
|
|
|
(1R,2R,4R,6S,9S,10S,13S,16R)-2,6,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
350.40
|
0.8
|
4
|
5
|
97.99
|
1
|
|
|
(1S,2S,5S,8R,9R,11S,13R,18R)-9,13,18-trihydroxy-12,12-dimethyl-6-methylidene-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadecan-7-one
|
348.40
|
1.1
|
3
|
5
|
86.99
|
0
|
|
|
Spirosta-3,5-diene
|
396.60
|
6.9
|
0
|
2
|
18.46
|
0
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
588.80
|
6
|
4
|
7
|
116.45
|
3
|
|
|
Saponin PE
|
751.00
|
4.4
|
7
|
12
|
195.6
|
6
|
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