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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S)-5,7,2'-trihydroxyflavanone
|
272.25
|
2.4
|
3
|
5
|
86.99
|
1
|
|
|
(S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-8-methoxychroman-4-one
|
302.28
|
2.4
|
3
|
6
|
96.22
|
2
|
|
|
(2s)-5,2',5'-Trihydroxy-7,8-dimethoxyflavanone
|
332.30
|
2.3
|
3
|
7
|
105.45
|
3
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]-3-methoxyphenoxy]oxane-2-carboxylic acid
|
522.50
|
1.1
|
5
|
13
|
190.67
|
7
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-8-methoxy-2-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
|
490.40
|
1.4
|
5
|
12
|
185.35
|
6
|
|
|
5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone
|
346.30
|
2.7
|
2
|
7
|
94.45
|
4
|
|
|
5,7-Dihydroxy-8,2'-dimethoxyflavone
|
314.29
|
3
|
2
|
6
|
89.13
|
3
|
|
|
Rivularin (flavone)
|
344.30
|
2.9
|
2
|
7
|
98.36
|
4
|
|
|
5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one
|
270.24
|
2
|
3
|
5
|
90.9
|
1
|
|
|
Spirostane-3,6-dione
|
428.60
|
4.4
|
0
|
4
|
52.6
|
0
|
|
|
2''-Galloylastragalin
|
600.50
|
1.9
|
9
|
15
|
257.04
|
7
|
|
|
Quercetin 3-(2-galloylglucoside)
|
616.50
|
1.5
|
10
|
16
|
277.27
|
7
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
492.60
|
0.9
|
6
|
7
|
138.45
|
5
|
|
|
Taraxasterol acetate
|
468.80
|
9.7
|
0
|
2
|
26.3
|
2
|
|
|
5,7,2'-Trihydroxy-6'-methoxyflavone
|
300.26
|
1.7
|
3
|
6
|
100.13
|
2
|
|
|
Brassicasterol acetate
|
440.70
|
8.6
|
0
|
2
|
26.3
|
6
|
|
|
Acetic acid (22E)-ergosta-5,22-dien-3beta-yl ester
|
440.70
|
8.6
|
0
|
2
|
26.3
|
6
|
|
|
Flacourtin
|
406.40
|
0.8
|
5
|
9
|
145.91
|
7
|
|
|
I(2)-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate
|
406.40
|
0.8
|
5
|
9
|
145.91
|
7
|
|
|
(E)-alpha-bergamotene
|
204.35
|
4.8
|
0
|
0
|
0
|
3
|
|
|
(1R,5R,6R)-2,6-Dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
|
204.35
|
4.8
|
0
|
0
|
0
|
3
|
|
|
25-Methyl-24-methylenecholesterol
|
412.70
|
9.2
|
1
|
1
|
20.23
|
5
|
|
|
Withaphysalin E
|
482.60
|
1.9
|
2
|
7
|
110.13
|
1
|
|
|
Decaffeoyl-acteoside
|
462.40
|
-1.9
|
8
|
12
|
198.76
|
7
|
|
|
Z-harpagoside
|
494.50
|
-0.6
|
6
|
11
|
175.37
|
7
|
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