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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Xanthoplanine
|
356.40
|
3.1
|
1
|
4
|
47.92
|
3
|
|
|
(1r,2s)-3-p-Menthen-1,2-diol
|
170.25
|
0.9
|
2
|
2
|
40.46
|
1
|
|
|
(1r,2r)-p-Menth-4(5)-ene-1,2-diol
|
170.25
|
1
|
2
|
2
|
40.46
|
1
|
|
|
trans-p-Menthane-1,4-diol
|
172.26
|
1.5
|
2
|
2
|
40.46
|
1
|
|
|
4-[(1e)-Hexenyl]-cyclopentene
|
150.26
|
4
|
0
|
0
|
0
|
4
|
|
|
1-Propene, 1-(methylthio)-
|
88.17
|
1.6
|
0
|
1
|
25.3
|
1
|
|
|
3-O-[(E)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] 1-O-methyl propanedioate
|
408.60
|
5.7
|
1
|
5
|
72.83
|
9
|
|
|
[(E)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate
|
350.50
|
5.7
|
1
|
3
|
46.53
|
6
|
|
|
[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate
|
346.50
|
5.2
|
0
|
3
|
43.37
|
6
|
|
|
3-Methylcyclopentene
|
82.14
|
2.3
|
0
|
0
|
0
|
0
|
|
|
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
670.60
|
-2.4
|
9
|
17
|
267.05
|
10
|
|
|
NCGC00168892-03_C30H38O17_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[6-deoxy-3-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
|
670.60
|
-2.4
|
9
|
17
|
267.05
|
10
|
|
|
2-[[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxane-3,4,5-triol
|
508.50
|
-4.3
|
8
|
14
|
220.52
|
6
|
|
|
3-Methyl-5-propyldithiolane
|
162.30
|
2.8
|
0
|
2
|
50.6
|
2
|
|
|
(13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,10-diol
|
357.40
|
2.6
|
2
|
6
|
71.39
|
3
|
|
|
Gymnemic acid IV
|
764.90
|
3.8
|
8
|
13
|
223.67
|
8
|
|
|
Gymnemic acid III
|
767.00
|
4
|
8
|
13
|
223.67
|
9
|
|
|
[(1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetate
|
330.50
|
6.2
|
0
|
2
|
26.3
|
4
|
|
|
(4aS,8S,8aS)-4,4,7,8a-tetramethyl-8-[(2E)-3-methylpenta-2,4-dienyl]-1,2,3,4a,5,8-hexahydronaphthalene
|
272.50
|
7
|
0
|
0
|
0
|
3
|
|
|
2-Methylcyclopentanone
|
98.14
|
1
|
0
|
1
|
17.07
|
0
|
|
|
2-Methyl-2-cyclopenten-1-one
|
96.13
|
0.9
|
0
|
1
|
17.07
|
0
|
|
|
2,6-Dimethyloct-2-en-4-one
|
154.25
|
3.2
|
0
|
1
|
17.07
|
4
|
|
|
5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol acetate
|
196.29
|
3.6
|
0
|
2
|
26.3
|
6
|
|
|
4-Methyl-1,3-dioxane
|
102.13
|
0.6
|
0
|
2
|
18.46
|
0
|
|
|
2,3-Dimethyl-2-cyclopenten-1-one
|
110.15
|
0.8
|
0
|
1
|
17.07
|
0
|
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