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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3aS,6S,6aR)-3,6-bis(4,6-dimethoxy-1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate
|
532.50
|
2.1
|
0
|
12
|
118.6
|
8
|
|
|
3'-Dehydrolutein/Philosamiaxanthin/3-Hydroxy-beta,epsilon-caroten-3'-one
|
566.90
|
10.9
|
1
|
2
|
37.3
|
10
|
|
|
4,6-Dimethoxy-1-(2,3,7-trihydroxy-4,6-dimethoxyphenanthren-1-yl)phenanthrene-2,3,7-triol
|
570.50
|
6.3
|
6
|
10
|
158.3
|
5
|
|
|
Amaranthin betacyanin
|
726.60
|
-2.2
|
11
|
20
|
345.6
|
9
|
|
|
[(1S,2R,3R,4S)-2,3-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
|
570.70
|
5
|
0
|
6
|
77.54
|
6
|
|
|
Procyanidin B1
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] acetate
|
620.60
|
-0.2
|
7
|
15
|
235.04
|
8
|
|
|
Yunnaconitine
|
659.80
|
1.2
|
2
|
12
|
142.45
|
12
|
|
|
methyl (1R,2S,3R,6R,8S,9S,10S,11R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate
|
686.70
|
-0.4
|
7
|
16
|
248.2
|
8
|
|
|
3-Methyl-2-butanone
|
86.13
|
0.8
|
0
|
1
|
17.07
|
1
|
|
|
Polianthoside G
|
1377.50
|
-4.6
|
20
|
33
|
524.59
|
21
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl] (2S,3R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylheptanoate
|
1403.50
|
-3.9
|
20
|
33
|
532.43
|
24
|
|
|
1,3-Cyclohexadiene-1-methanol
|
110.15
|
0.8
|
1
|
1
|
20.23
|
1
|
|
|
p-Anisaldehyde-|A-d1
|
137.15
|
1.8
|
0
|
2
|
26.3
|
2
|
|
|
3,7-Dimethyl-2,7-octadiene-1-ol
|
154.25
|
3.2
|
1
|
1
|
20.23
|
5
|
|
|
12-Deuteriododecanoic acid
|
201.32
|
4.2
|
1
|
2
|
37.3
|
10
|
|
|
Monoisobutyl adipate
|
202.25
|
1.6
|
1
|
4
|
63.6
|
8
|
|
|
7-Hydroxy-5-methoxy-2-methylchromen-4-one
|
206.19
|
0.6
|
1
|
4
|
59.67
|
1
|
|
|
4-Methyl-1-(6-methylhept-6-en-2-yl)cyclohex-3-en-1-ol
|
222.37
|
4.3
|
1
|
1
|
20.23
|
5
|
|
|
5-[(5-Hydroxypyridin-3-yl)methoxy]benzene-1,3-diol
|
233.22
|
1.3
|
3
|
5
|
82.81
|
3
|
|
|
1,8-Dihydroxy-2-methylanthraquinone
|
254.24
|
3.5
|
2
|
4
|
74.6
|
0
|
|
|
Kanzonol Q
|
260.28
|
2.9
|
0
|
4
|
48.67
|
1
|
|
|
(1S,2R,3R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
|
265.27
|
-0.5
|
4
|
7
|
130.31
|
2
|
|
|
(E,2E)-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]pent-4-enal
|
280.30
|
3.7
|
2
|
3
|
57.53
|
5
|
|
|
stemanthrene B
|
286.32
|
3.4
|
2
|
4
|
58.92
|
2
|
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