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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Articulone
|
216.36
|
4.2
|
0
|
0
|
0
|
0
|
|
|
(2S,3R,4aS,6aS,6bR,9S,10S,12aR,14bR)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
|
488.70
|
6.2
|
4
|
5
|
97.99
|
2
|
|
|
Rubinic acid
|
470.70
|
5.7
|
2
|
4
|
74.6
|
1
|
|
|
Ursololactone
|
498.70
|
8
|
0
|
4
|
52.6
|
2
|
|
|
3beta-Hydroxy-28,13-ursanolide
|
456.70
|
7.4
|
1
|
3
|
46.53
|
0
|
|
|
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
|
208.30
|
1.7
|
2
|
2
|
40.46
|
0
|
|
|
Tanavulgarol
|
236.35
|
3.1
|
1
|
2
|
37.3
|
3
|
|
|
3-Epinobilin
|
346.40
|
2.5
|
1
|
5
|
72.83
|
3
|
|
|
3-Dehydronobilin
|
344.40
|
3
|
0
|
5
|
69.67
|
3
|
|
|
15-Hydroxyleptocarpin
|
378.40
|
1.2
|
2
|
7
|
105.59
|
4
|
|
|
(ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid
|
350.40
|
1.6
|
4
|
5
|
97.99
|
1
|
|
|
D-Patchoulene
|
204.35
|
4.7
|
0
|
0
|
0
|
0
|
|
|
Yucalexin P15
|
330.40
|
1.5
|
2
|
4
|
74.6
|
1
|
|
|
Desacetyllaurenobiolide
|
248.32
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
Diosbulbin H
|
418.50
|
2.2
|
1
|
7
|
103.04
|
6
|
|
|
6-O-Acetylaustroinulin
|
364.50
|
5
|
2
|
4
|
66.76
|
5
|
|
|
8b,17-Epoxy-12E-labdene-15,16-dial
|
318.40
|
3.6
|
0
|
3
|
46.67
|
5
|
|
|
(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside
|
370.40
|
0
|
4
|
7
|
116.45
|
5
|
|
|
(ent-15beta)-15-Hydroxy-19-trachylobanoic acid
|
318.40
|
4.1
|
2
|
3
|
57.53
|
1
|
|
|
ent-19-Trachylobanal
|
286.50
|
5.5
|
0
|
1
|
17.07
|
1
|
|
|
Valenciachrome
|
412.60
|
6.2
|
2
|
3
|
49.69
|
8
|
|
|
(1S,2R,9S,13R,15R,18S)-2,6,6,9-tetramethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icos-7-ene-1,18-dicarboxylic acid
|
454.60
|
7.4
|
2
|
4
|
74.6
|
3
|
|
|
2-[(2Z,4E,6E,8Z,10E,12Z,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
584.90
|
10.1
|
2
|
3
|
49.69
|
9
|
|
|
Phytoene 1,2-epoxide
|
560.90
|
14.1
|
0
|
1
|
12.53
|
20
|
|
|
5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-carotene-3,3'-diol
|
600.90
|
9
|
2
|
4
|
58.92
|
8
|
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