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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
trans-Cadinol
|
222.37
|
3.3
|
1
|
1
|
20.23
|
1
|
|
|
(1R,4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
|
222.37
|
3.3
|
1
|
1
|
20.23
|
1
|
|
|
(1S,4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
|
222.37
|
3.3
|
1
|
1
|
20.23
|
1
|
|
|
(1S,4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
|
222.37
|
3.3
|
1
|
1
|
20.23
|
1
|
|
|
beta-Cadinol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
1-Methyl-6-methylidene-4-(propan-2-yl)-decahydronaphthalene-1,4a-diol
|
238.37
|
2.4
|
2
|
2
|
40.46
|
1
|
|
|
Isocalamendiol
|
238.37
|
2.4
|
2
|
2
|
40.46
|
1
|
|
|
(E)-calamenene
|
202.33
|
5.1
|
0
|
0
|
0
|
1
|
|
|
alpha-Calacorene
|
200.32
|
4.4
|
0
|
0
|
0
|
1
|
|
|
Pelargonidin 3-O-galactoside
|
433.40
|
|
7
|
9
|
171.37
|
4
|
|
|
3-[5-Hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-4,7-dioxo-2,3-dihydrochromen-6-yl]-3-phenylpropanoic acid
|
560.70
|
7.7
|
2
|
6
|
100.9
|
11
|
|
|
5-[(2R,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
|
356.40
|
4.3
|
0
|
5
|
46.15
|
4
|
|
|
Calopiptin
|
356.40
|
4.3
|
0
|
5
|
46.15
|
4
|
|
|
5-[(2S,3S,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
|
356.40
|
4.3
|
0
|
5
|
46.15
|
4
|
|
|
6,8-Dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
|
384.30
|
-0.3
|
4
|
10
|
148.05
|
5
|
|
|
Eleutheroside B1
|
384.30
|
-0.3
|
4
|
10
|
148.05
|
5
|
|
|
Dihydropriverogenin A
|
474.70
|
5.8
|
4
|
4
|
80.92
|
1
|
|
|
Camelliagenin B
|
488.70
|
5
|
4
|
5
|
97.99
|
2
|
|
|
Camelliagenin C
|
490.70
|
5.1
|
5
|
5
|
101.15
|
2
|
|
|
Theasapogenol E
|
504.70
|
3.8
|
5
|
6
|
118.22
|
2
|
|
|
(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde
|
504.70
|
3.8
|
5
|
6
|
118.22
|
2
|
|
|
(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-3,16,21,22,28-Pentahydroxyolean-12-en-23-al
|
504.70
|
3.8
|
5
|
6
|
118.22
|
2
|
|
|
3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (R)-
|
168.23
|
1.9
|
1
|
2
|
37.3
|
2
|
|
|
Xysmalogenin
|
372.50
|
2.5
|
2
|
4
|
66.76
|
1
|
|
|
9-[(E)-4-[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one
|
572.60
|
5.1
|
1
|
10
|
134.62
|
10
|
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