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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
epsilon,gamma-Caroten-3-ol
|
552.90
|
13.3
|
1
|
1
|
20.23
|
13
|
|
|
5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside
|
650.60
|
0.2
|
6
|
15
|
216.2
|
9
|
|
|
[10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,16,17,18-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
936.60
|
1.2
|
16
|
26
|
455.18
|
4
|
|
|
Biochanin A 7-(6-malonylglucoside)
|
532.40
|
0.9
|
5
|
13
|
202.42
|
9
|
|
|
1-(3,4-Dihydroxycinnamoyl)quinic acid
|
354.31
|
-0.4
|
6
|
9
|
164.75
|
5
|
|
|
Neodactylifric acid
|
336.29
|
0.2
|
5
|
8
|
144.52
|
5
|
|
|
Mammea B/AB cyclo F
|
388.50
|
4.1
|
2
|
6
|
96.97
|
6
|
|
|
2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran
|
354.40
|
4.5
|
0
|
5
|
46.15
|
4
|
|
|
8-Methoxygravelliferone
|
328.40
|
5.4
|
1
|
4
|
59.67
|
5
|
|
|
Torvonin A
|
724.90
|
3
|
6
|
12
|
176.76
|
4
|
|
|
Capsianoside IV
|
644.70
|
1.9
|
8
|
13
|
215.83
|
17
|
|
|
Capsianoside D
|
1727.90
|
-0.7
|
22
|
38
|
600.58
|
43
|
|
|
Capsianoside F
|
1711.90
|
0.4
|
21
|
37
|
580.35
|
43
|
|
|
1,26-Dicaffeoylhexacosanediol
|
723.00
|
15.8
|
4
|
8
|
133.52
|
33
|
|
|
6alpha-Hydroxyphaseollin
|
338.40
|
2.5
|
2
|
5
|
68.15
|
0
|
|
|
Americanin
|
328.30
|
1.7
|
3
|
6
|
96.22
|
4
|
|
|
6,7-Dimethoxy-7-epirosmanol
|
390.50
|
3.7
|
2
|
6
|
85.22
|
3
|
|
|
2-[2-[[3,12-dihydroxy-17-[(E)-6-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
963.20
|
-0.1
|
13
|
19
|
318.37
|
12
|
|
|
Majoroside F3
|
801.00
|
2.7
|
10
|
14
|
239.22
|
10
|
|
|
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside
|
414.50
|
-0.4
|
5
|
8
|
136.68
|
5
|
|
|
2-Oxo-5,11(13)-eudesmadien-12,8-olide
|
246.30
|
1.8
|
0
|
3
|
43.37
|
0
|
|
|
Avocadienofuran
|
246.40
|
6.8
|
0
|
1
|
13.14
|
11
|
|
|
beta-Triticene
|
222.37
|
6
|
0
|
1
|
17.07
|
11
|
|
|
alpha-Triticene
|
222.37
|
6.3
|
0
|
1
|
17.07
|
11
|
|
|
(2E,11Z)-Wyerone acid
|
244.24
|
3.1
|
1
|
4
|
67.51
|
4
|
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