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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-Hydroxy-3-oxopropanoic acid;3-hydroxy-2-oxopropanoic acid
|
208.12
|
|
4
|
8
|
149.2
|
4
|
|
|
Methyl tetradecenoate
|
240.38
|
6.2
|
0
|
2
|
26.3
|
12
|
|
|
Gentiside J
|
462.70
|
14
|
2
|
4
|
66.76
|
23
|
|
|
Gentiside E
|
406.60
|
11.9
|
2
|
4
|
66.76
|
19
|
|
|
Cyclopentyl isothiocyanate
|
127.21
|
2.8
|
0
|
2
|
44.45
|
1
|
|
|
5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
562.60
|
-0.1
|
5
|
10
|
166.89
|
4
|
|
|
Norwogonin-8-O-glucuronide
|
446.40
|
1.1
|
6
|
11
|
187.12
|
4
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-(5,7-dihydroxy-8-methoxy-4-oxochromen-2-yl)-3-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
640.50
|
2.4
|
8
|
15
|
246.04
|
9
|
|
|
5,7-Dihydroxy-8,2',6'-trimethoxyflavone
|
344.30
|
2.9
|
2
|
7
|
98.36
|
4
|
|
|
Gerbsaure
|
636.50
|
0.4
|
11
|
18
|
310.66
|
10
|
|
|
2-(7-Methoxy-2-oxochromen-8-yl)acetaldehyde
|
218.20
|
1.3
|
0
|
4
|
56.51
|
3
|
|
|
5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one
|
412.60
|
5.6
|
0
|
3
|
35.53
|
0
|
|
|
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
626.50
|
-1.2
|
11
|
17
|
289.66
|
7
|
|
|
quercetin 3-O-beta-D-glucosylgalactoside
|
626.50
|
-1.2
|
11
|
17
|
289.66
|
7
|
|
|
Kaempferol-3-O-glucuronoside
|
462.40
|
1
|
7
|
12
|
207.35
|
4
|
|
|
3-(3,4-dimethoxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
506.50
|
1.1
|
5
|
12
|
177.51
|
7
|
|
|
Dalspinosin
|
344.30
|
2.9
|
2
|
7
|
98.36
|
4
|
|
|
7-Methoxy-8-(3-methylbut-3-enoyl)chromen-2-one
|
258.27
|
2.9
|
0
|
4
|
56.51
|
4
|
|
|
Campestanol acetate
|
444.70
|
10.2
|
0
|
2
|
26.3
|
7
|
|
|
Acetylsoyasaponin A1
|
1437.50
|
-0.7
|
14
|
33
|
497.79
|
23
|
|
|
Acetylsoyasaponin A2
|
1275.40
|
0.9
|
11
|
28
|
418.64
|
20
|
|
|
Acetylsoyasaponin A3
|
1245.40
|
1
|
10
|
27
|
398.41
|
19
|
|
|
Soyasaponin Aa
|
1365.50
|
-0.6
|
14
|
31
|
471.49
|
20
|
|
|
Acetylsoyasaponin A5
|
1203.30
|
1
|
11
|
26
|
392.34
|
17
|
|
|
Acetylsoyasaponin A6
|
1173.30
|
1
|
10
|
25
|
372.11
|
16
|
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