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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
|
418.50
|
4
|
1
|
7
|
75.61
|
10
|
|
|
6beta,7beta-Epoxy-8-epi-splendoside
|
420.40
|
-3.6
|
6
|
12
|
187.9
|
6
|
|
|
beta-Phenylethanol beta-D-rutinoside
|
430.40
|
-1.7
|
6
|
10
|
158.3
|
7
|
|
|
[(E)-2-[(1S,5S,7R,8S,11S)-11-(2-methoxypropan-2-yl)-8-methyl-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.02,6]dodec-2(6)-en-7-yl]ethenyl] 3-methylbut-2-enoate
|
430.60
|
3.2
|
0
|
5
|
61.83
|
8
|
|
|
2,6,6-Trimethylcyclohexene-1-methanol
|
154.25
|
1.9
|
1
|
1
|
20.23
|
1
|
|
|
Methyl isothiocyanate
|
73.12
|
0.9
|
0
|
2
|
44.45
|
0
|
|
|
(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-7-methoxy-4,4,13,14-tetramethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
|
468.70
|
7
|
1
|
3
|
46.53
|
6
|
|
|
(4R,4aS,10aR,11bR)-4,8,11b-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,10a,11-octahydronaphtho[2,1-f][1]benzofuran-7,9-dione
|
492.60
|
1.3
|
4
|
9
|
142.75
|
4
|
|
|
Dysobinin
|
494.60
|
5.3
|
0
|
6
|
82.81
|
5
|
|
|
Methyl thiocyanate
|
73.12
|
0.9
|
0
|
2
|
49.09
|
0
|
|
|
3-ACETYL-11-KETO-beta-BOSWELLIC ACID
|
512.70
|
7.2
|
1
|
5
|
80.67
|
3
|
|
|
(-)-Pinoresinol 4-O-glucoside
|
520.50
|
0.5
|
5
|
11
|
156.53
|
7
|
|
|
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
550.60
|
0
|
7
|
12
|
187.76
|
8
|
|
|
2-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one
|
568.50
|
-1.8
|
9
|
15
|
249.2
|
6
|
|
|
Cyanidin 3-O-sophoroside
|
611.50
|
|
11
|
15
|
270.75
|
7
|
|
|
Ageliferin
|
620.30
|
1.4
|
8
|
6
|
199.18
|
7
|
|
|
Cryptophycin 326
|
675.60
|
6.2
|
2
|
8
|
132.56
|
8
|
|
|
Javanicoside C
|
680.60
|
-0.3
|
6
|
16
|
245.04
|
8
|
|
|
Javanicoside B
|
684.70
|
-0.2
|
6
|
16
|
245.04
|
9
|
|
|
Sulfate Ion
|
96.07
|
-1.5
|
0
|
4
|
88.64
|
0
|
|
|
2-Isopropylcyclopentanone
|
126.20
|
1.8
|
0
|
1
|
17.07
|
1
|
|
|
Methyl Benzenecarboperoxoate
|
152.15
|
1.8
|
0
|
3
|
35.53
|
3
|
|
|
(4S,4AR,6R)-4,4A-Dimethyl-6-(prop-1-EN-2-YL)-1,2,3,4,4A,5,6,7-octahydronaphthalene
|
204.35
|
5.2
|
0
|
0
|
0
|
1
|
|
|
Birkenal
|
206.32
|
3.3
|
0
|
1
|
17.07
|
1
|
|
|
(4R)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one
|
208.21
|
1.3
|
2
|
4
|
66.76
|
1
|
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