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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2'-Hydroxygenistein-7-O-glucoside
|
448.40
|
0.5
|
7
|
11
|
190.28
|
4
|
|
|
2,4,5-Trimethoxybenzoic acid
|
212.20
|
1.4
|
1
|
5
|
64.99
|
4
|
|
|
2,4,4-Trimethylcyclohexanone
|
140.22
|
2.2
|
0
|
1
|
17.07
|
0
|
|
|
Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate
|
446.40
|
-2.5
|
6
|
12
|
184.6
|
7
|
|
|
fagopyritol A2
|
504.40
|
-7.4
|
12
|
16
|
279.68
|
6
|
|
|
2',5'-Dihydroxyacetophenone
|
152.15
|
1.7
|
2
|
3
|
57.53
|
1
|
|
|
Prephenic acid
|
226.18
|
-0.5
|
3
|
6
|
111.9
|
4
|
|
|
4-(1-Hydroxyethyl)phenol
|
138.16
|
0.2
|
2
|
2
|
40.46
|
1
|
|
|
Thymoquinone
|
164.20
|
2
|
0
|
2
|
34.14
|
1
|
|
|
2-Methylbutyl propionate
|
144.21
|
2.3
|
0
|
2
|
26.3
|
5
|
|
|
(3-Hydroxy-2-octadeca-9,12-dienoyloxypropyl) octadeca-9,12-dienoate
|
617.00
|
13
|
1
|
5
|
72.83
|
34
|
|
|
p-Menth-1-en-3-ol
|
154.25
|
2.1
|
1
|
1
|
20.23
|
1
|
|
|
Isobutyl 2-methylbutyrate
|
158.24
|
2.8
|
0
|
2
|
26.3
|
5
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tridecanoate
|
602.80
|
6
|
3
|
8
|
130.36
|
16
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
626.50
|
-1.8
|
11
|
17
|
289.66
|
7
|
|
|
fagopyritol A3
|
666.60
|
-9.6
|
15
|
21
|
358.83
|
9
|
|
|
(1S,3R,4R,5R)-1,3,4-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-hydroxycyclohexane-1-carboxylic acid
|
678.60
|
3.5
|
8
|
15
|
257.81
|
13
|
|
|
Quercetin 3-O-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
|
756.70
|
-2.4
|
12
|
20
|
328.35
|
8
|
|
|
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
756.70
|
-2.4
|
12
|
20
|
328.35
|
8
|
|
|
3-Methylhexan-2-one
|
114.19
|
1.9
|
0
|
1
|
17.07
|
3
|
|
|
(2-(1-Ethoxyethoxy)ethyl)benzene
|
194.27
|
2.8
|
0
|
2
|
18.46
|
6
|
|
|
4-Methylquinoline
|
143.18
|
2.6
|
0
|
1
|
12.89
|
0
|
|
|
2-Methylbutyl hexanoate
|
186.29
|
3.7
|
0
|
2
|
26.3
|
8
|
|
|
Methyl-prop-2-enoxy-sulfanylidene-lambda4-sulfane
|
136.20
|
3.2
|
0
|
3
|
60.53
|
3
|
|
|
Chromone
|
146.14
|
1.4
|
0
|
2
|
30.21
|
0
|
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