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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(7aR,11aS)-3-(3,4-dihydroxyphenyl)-6-hydroxy-8,8,11a-trimethyl-7a,9,10,11-tetrahydro-7H-pyrano[2,3-c]xanthen-1-one
|
422.50
|
4.8
|
3
|
6
|
100.13
|
1
|
|
|
2,5-Dimethyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)benzene-1,4-diol
|
416.70
|
11
|
2
|
2
|
40.46
|
14
|
|
|
Anemarsaponin B
|
903.10
|
0.9
|
11
|
18
|
287.14
|
13
|
|
|
2,2,6,6-Tetramethyl-4-piperidone
|
155.24
|
0.5
|
1
|
2
|
29.1
|
0
|
|
|
(3E,4S)-3-[2-[(2aR,4aS,5R,8aS,8bR)-4a,8b-dimethyl-6-methylidene-1,2a,3,4,5,7,8,8a-octahydronaphtho[2,1-b]oxet-5-yl]ethylidene]-4-hydroxyoxolan-2-one
|
332.40
|
2.6
|
1
|
4
|
55.76
|
2
|
|
|
(1S,4aR,4bR,5R,6S,7S,8aR,10aR)-2-ethenyl-5,6,7-trihydroxy-1,4b,8,8-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one
|
334.40
|
2.4
|
3
|
4
|
77.76
|
1
|
|
|
(1S,4aR,4bR,5S,7R,8aR,10aR)-5,7-dihydroxy-1,4b,8,8-tetramethyl-2-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one
|
318.40
|
3.3
|
2
|
3
|
57.53
|
1
|
|
|
(4S,4aR,4bR,8S,8aR,10aS)-4-hydroxy-1,1,4a,8-tetramethyl-7-vinyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydrophenanthrene-2,5-dione
|
316.40
|
3
|
1
|
3
|
54.37
|
1
|
|
|
2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside
|
624.60
|
-0.5
|
9
|
15
|
245.29
|
11
|
|
|
Epoxy-linalool oxide
|
184.23
|
1.5
|
1
|
3
|
45.29
|
4
|
|
|
Dihydro-feruloyltyramine
|
315.40
|
2.4
|
3
|
4
|
78.79
|
6
|
|
|
Esculentagenin
|
546.70
|
3.4
|
4
|
8
|
141.36
|
4
|
|
|
Esculentoside M
|
1003.10
|
-2
|
12
|
22
|
358.58
|
12
|
|
|
Hexamethoxy flavanone
|
404.40
|
2.3
|
0
|
8
|
81.68
|
7
|
|
|
Cyclohexylbenzene
|
160.25
|
4.9
|
0
|
0
|
0
|
1
|
|
|
2-Vinylnaphthalene
|
154.21
|
4.3
|
0
|
0
|
0
|
1
|
|
|
(4aS,6aR,6aS,6bR,8aR,11R,12aR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
470.70
|
6.6
|
2
|
4
|
74.6
|
1
|
|
|
3-[(1R,4R,6S,9S,10R,13R,14R)-6-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one
|
516.70
|
3.6
|
1
|
7
|
91.29
|
4
|
|
|
2-Acetyl-4-methylfuran
|
124.14
|
1.4
|
0
|
2
|
30.21
|
1
|
|
|
(1R,4S,6S,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
|
220.35
|
3.6
|
0
|
1
|
12.53
|
0
|
|
|
Caryophyllene oxide 2
|
220.35
|
3.6
|
0
|
1
|
12.53
|
0
|
|
|
(2s)-2-Acetoxynonane
|
186.29
|
4
|
0
|
2
|
26.3
|
8
|
|
|
2-[3-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
626.60
|
5.1
|
8
|
11
|
205.21
|
5
|
|
|
(2S)-2-[3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
626.60
|
5.1
|
8
|
11
|
205.21
|
5
|
|
|
Rubilactone
|
270.24
|
3.2
|
1
|
5
|
76.74
|
2
|
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