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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Rengyoxide
|
158.19
|
-0.1
|
2
|
3
|
49.69
|
2
|
|
|
8-Demethyllatifolin
|
328.30
|
3.5
|
2
|
6
|
89.13
|
3
|
|
|
6,8-Di-C-methylkaempferol 3,7-dimethyl ether
|
342.30
|
3.9
|
2
|
6
|
89.13
|
3
|
|
|
Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside
|
782.70
|
-1.7
|
10
|
20
|
314.19
|
10
|
|
|
Kaempferol 3-(6''-acetylgalactoside) 7-rhamnoside
|
636.60
|
-0.6
|
8
|
16
|
255.27
|
8
|
|
|
Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside
|
740.70
|
-1.7
|
11
|
19
|
308.12
|
8
|
|
|
6''-Acetylhyperin 7-rhamnoside
|
652.60
|
-0.9
|
9
|
17
|
275.5
|
8
|
|
|
(+)-6-Hydroxymellein
|
194.18
|
2.1
|
2
|
4
|
66.76
|
0
|
|
|
7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxyisoflavone
|
342.30
|
2.6
|
1
|
7
|
87.36
|
3
|
|
|
2-Methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
|
318.40
|
3
|
1
|
5
|
57.15
|
7
|
|
|
(3R)-7,8,2',3'-Tetrahydroxy-4'-methoxyisoflavan
|
304.29
|
2.2
|
4
|
6
|
99.38
|
2
|
|
|
4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
|
542.60
|
5.4
|
4
|
8
|
117.84
|
5
|
|
|
(5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
|
446.70
|
5.3
|
2
|
4
|
74.6
|
5
|
|
|
22,23-Dihydroxyergostane-3,6-dione
|
446.70
|
5.3
|
2
|
4
|
74.6
|
5
|
|
|
3-Dehydroteasterone
|
446.70
|
5.3
|
2
|
4
|
74.6
|
5
|
|
|
CID 14354066
|
560.70
|
2.6
|
3
|
8
|
138.2
|
7
|
|
|
23,24-dihydroisocucurbitacin B
|
560.70
|
2.6
|
3
|
8
|
138.2
|
7
|
|
|
Benzofuran-6-carbaldehyde
|
146.14
|
1.8
|
0
|
2
|
30.21
|
1
|
|
|
Dihydrokaempferol-3-glucoside
|
450.40
|
0.2
|
7
|
11
|
186.37
|
4
|
|
|
Tricin arabinoside
|
462.40
|
0.9
|
5
|
11
|
168.28
|
5
|
|
|
Asperflavin
|
288.29
|
2.3
|
3
|
5
|
86.99
|
1
|
|
|
(8aR,9aR)-5,8a-dimethyl-3-methylidene-7,8,9,9a-tetrahydro-6H-benzo[f][1]benzofuran-2-one
|
230.30
|
2.8
|
0
|
2
|
26.3
|
0
|
|
|
2-[4,5-dihydroxy-2-[[5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
686.60
|
-7.3
|
13
|
20
|
327.6
|
10
|
|
|
2-[(5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
348.34
|
-2.2
|
6
|
9
|
149.07
|
3
|
|
|
[5-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
|
390.40
|
-1.6
|
5
|
10
|
155.14
|
5
|
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