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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5,7-Dihydroxy-4-methylphthalide
|
180.16
|
1.6
|
2
|
4
|
66.76
|
0
|
|
|
1-Methylpyrrole-2-carboxaldehyde
|
109.13
|
0.5
|
0
|
1
|
22
|
1
|
|
|
8-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
|
548.50
|
-1.8
|
8
|
13
|
219.74
|
6
|
|
|
2-Acetylfuran
|
110.11
|
0.5
|
0
|
2
|
30.21
|
1
|
|
|
Gymnopusin
|
300.30
|
3.6
|
2
|
5
|
68.15
|
3
|
|
|
Acidissiminol
|
393.50
|
5.4
|
2
|
3
|
58.56
|
10
|
|
|
Iriskumaonin methyl ether
|
356.30
|
2.9
|
0
|
7
|
76.36
|
4
|
|
|
Squarrosin
|
342.30
|
3.1
|
1
|
7
|
87.36
|
3
|
|
|
(1S,8R,9S,12R,13R,15S,17R)-8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10,14-trioxapentacyclo[7.7.1.02,7.012,17.013,15]heptadeca-2,6-diene-4,11-dione
|
346.40
|
0.7
|
1
|
6
|
89.27
|
1
|
|
|
2-alpha-Hydroxynagilactone
|
332.40
|
1.8
|
1
|
5
|
72.83
|
1
|
|
|
NCGC00384848-01_C21H36O10_2-[3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2-oxodecahydro-5-azulenyl]-2-propanyl hexopyranoside
|
448.50
|
-2.2
|
7
|
10
|
177.14
|
5
|
|
|
Atractyloside B
|
450.50
|
-2.2
|
8
|
10
|
180.3
|
5
|
|
|
2-[2-(6-Hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
400.50
|
0.8
|
5
|
7
|
119.61
|
4
|
|
|
2-[[8a-Methyl-4-methylidene-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
562.60
|
-0.8
|
8
|
12
|
198.76
|
7
|
|
|
2-[2-[6-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
694.80
|
-2.6
|
10
|
16
|
257.68
|
10
|
|
|
2-[2-(6,7-Dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
416.50
|
-0.3
|
6
|
8
|
139.84
|
4
|
|
|
(2R,3R,4aR,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalene-2,3-diol
|
254.36
|
1.3
|
3
|
3
|
60.69
|
1
|
|
|
4,8a-Dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
|
576.60
|
-1.4
|
8
|
13
|
215.83
|
7
|
|
|
5-Methyl-1H-pyrrole-2-carbaldehyde
|
109.13
|
0.9
|
1
|
1
|
32.86
|
1
|
|
|
11-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-5,9-dimethylundeca-2,4,6,8,10-pentaenal
|
326.50
|
5.2
|
1
|
2
|
37.3
|
6
|
|
|
3-Methyl-2-cyclohexen-1-one
|
110.15
|
0.8
|
0
|
1
|
17.07
|
0
|
|
|
14-Eicosenoic acid
|
310.50
|
7.6
|
1
|
2
|
37.3
|
17
|
|
|
2-Acetyl-5-methylfuran
|
124.14
|
1.4
|
0
|
2
|
30.21
|
1
|
|
|
4-Hydroxybenzyl
|
107.13
|
1.9
|
1
|
1
|
20.23
|
0
|
|
|
Cryptocapsin
|
568.90
|
11.9
|
1
|
2
|
37.3
|
11
|
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