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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[7,12,16-Trimethyl-15-(6-methylheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
456.70
|
10.4
|
0
|
2
|
26.3
|
7
|
|
|
[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methylheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
456.70
|
10.4
|
0
|
2
|
26.3
|
7
|
|
|
[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-11-(acetyloxymethyl)-5,6-dihydroxy-3,7,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
|
472.60
|
2
|
2
|
7
|
110.13
|
6
|
|
|
(3R,3aR,5aR,8R,9bS)-3a,8-dihydroxy-3,5a,9-trimethyl-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3H)-one
|
266.33
|
0.5
|
2
|
4
|
66.76
|
0
|
|
|
(1R,2R,4aS,6aS,6aS,6bR,8aS,10R,11R,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
504.70
|
4
|
5
|
6
|
118.22
|
1
|
|
|
1beta-Hydroxyeuscaphic acid
|
504.70
|
4
|
5
|
6
|
118.22
|
1
|
|
|
(1S,4R,4aS,8aS)-1,4-dihydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
|
266.33
|
1.7
|
2
|
4
|
74.6
|
2
|
|
|
Obacunone 17-O-beta-D-glucoside
|
634.70
|
0.8
|
5
|
13
|
205.72
|
6
|
|
|
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-diacetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
570.80
|
7.8
|
0
|
6
|
78.9
|
6
|
|
|
2,3,23-Triacetylsericic acid
|
630.80
|
5.7
|
2
|
9
|
136.43
|
8
|
|
|
Methyl 10,11-diacetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylate
|
626.80
|
6.6
|
0
|
8
|
105.2
|
9
|
|
|
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
442.70
|
8.6
|
2
|
2
|
40.46
|
5
|
|
|
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5S)-5-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
442.70
|
8.6
|
2
|
2
|
40.46
|
5
|
|
|
(1S,2S,4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-1,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-2,10-diol
|
444.70
|
8.3
|
2
|
2
|
40.46
|
0
|
|
|
[(2S,3R,4S,5S,6R)-2-[(3aR,7R,7aR)-7-hydroxy-2,2,5,7-tetramethyl-1-oxospiro[3,7a-dihydroindene-6,1'-cyclopropane]-3a-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
|
454.50
|
-0.4
|
4
|
9
|
142.75
|
5
|
|
|
(5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,6,7,7a,9,10,11,11b,12,13,13a-dodecahydrocyclopenta[a]chrysene-7,9-diol
|
440.70
|
7.2
|
2
|
2
|
40.46
|
1
|
|
|
4,5-Epoxy-11(13)-guaien-12,8-olide
|
248.32
|
2.4
|
0
|
3
|
38.83
|
0
|
|
|
(1S,3R,7S,9S,10S,13R)-9,13-dimethyl-4-methylidene-6,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-5-one
|
248.32
|
2.4
|
0
|
3
|
38.83
|
0
|
|
|
Asacoumarin A
|
398.50
|
4.9
|
2
|
5
|
79.9
|
9
|
|
|
(1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one
|
218.33
|
3.2
|
0
|
1
|
17.07
|
0
|
|
|
(1R,2S,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one
|
218.33
|
3.2
|
0
|
1
|
17.07
|
0
|
|
|
(1R,2R,5S,6S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-ol
|
220.35
|
3.5
|
1
|
1
|
20.23
|
0
|
|
|
(1R,2S,5S,6S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-ol
|
220.35
|
3.5
|
1
|
1
|
20.23
|
0
|
|
|
Sanguinarine pseudobase
|
349.30
|
3.6
|
1
|
6
|
60.39
|
0
|
|
|
23-Methoxy-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
|
347.30
|
4.6
|
0
|
6
|
59.04
|
1
|
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