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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Isostegane
|
398.40
|
3.5
|
0
|
7
|
72.45
|
3
|
|
|
3-Hexen-1-ol
|
100.16
|
1.3
|
1
|
1
|
20.23
|
3
|
|
|
1beta-Hydroxybufalin
|
402.50
|
2.2
|
3
|
5
|
90.9
|
1
|
|
|
Sayaendoside
|
416.40
|
-1.3
|
6
|
10
|
158.3
|
8
|
|
|
norcaesalpinin C
|
418.50
|
3.4
|
2
|
7
|
110.13
|
5
|
|
|
Dulcinol
|
424.60
|
5.3
|
1
|
4
|
63.6
|
4
|
|
|
[(E)-2-[(1S,5S,7R,8S,9S,12S)-2-formyl-5-methoxy-5,9-dimethyl-12-propan-2-yl-4-oxatricyclo[7.3.1.03,7]tridec-2-en-8-yl]ethenyl] 3-methylbut-2-enoate
|
430.60
|
5.6
|
0
|
5
|
61.83
|
7
|
|
|
(1S,2R,5S,6S,7R,8R,11S)-7,11-dihydroxy-6-methyl-11-propan-2-yl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one
|
446.50
|
-0.8
|
6
|
10
|
166.14
|
5
|
|
|
Glutaronitrile
|
94.11
|
-0.7
|
0
|
2
|
47.58
|
2
|
|
|
Namogenin C
|
460.60
|
1.8
|
4
|
6
|
99.38
|
0
|
|
|
Fabiatrin
|
486.40
|
-2.4
|
6
|
13
|
197.74
|
6
|
|
|
Lactucain B
|
536.60
|
-0.3
|
2
|
9
|
136.43
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[[(3S,4S,5R)-4-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
538.50
|
-0.5
|
7
|
12
|
187.76
|
9
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
596.50
|
2
|
7
|
13
|
212.67
|
8
|
|
|
(2S)-4-[(10R,13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-10,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one
|
638.90
|
8
|
4
|
8
|
125.68
|
25
|
|
|
Ufcgpjwmjbsbeb-fpwovrjgsa-
|
662.80
|
3.6
|
4
|
10
|
144.14
|
5
|
|
|
[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
|
1267.40
|
-1.7
|
14
|
28
|
420.28
|
20
|
|
|
(3R,4R)-4-hydroxy-3-methyloxolan-2-one
|
116.11
|
-0.2
|
1
|
3
|
46.53
|
0
|
|
|
2-Ethyl-3-propylacrolein, (Z)-
|
126.20
|
2.3
|
0
|
1
|
17.07
|
4
|
|
|
(-)-Dihydromyrcene
|
138.25
|
4.2
|
0
|
0
|
0
|
4
|
|
|
(A+/-)-1,3,3-Trimethyl-2-norbornanol
|
154.25
|
2.5
|
1
|
1
|
20.23
|
0
|
|
|
(E)-2-Methyl-2-nonenal
|
154.25
|
3.5
|
0
|
1
|
17.07
|
6
|
|
|
4-Hydroxy-2-nonenal, (+)-
|
156.22
|
1.7
|
1
|
2
|
37.3
|
6
|
|
|
(5S)-2,5,6,6-tetramethylcyclohexa-1,3-diene-1-carbaldehyde
|
164.24
|
2.5
|
0
|
1
|
17.07
|
1
|
|
|
3-(3-Methoxy-4-methylphenyl)propan-1-ol
|
180.24
|
2.2
|
1
|
2
|
29.46
|
4
|
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