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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Lanostan-3beta-ol
|
430.70
|
10.6
|
1
|
1
|
20.23
|
5
|
|
|
Brickellin
|
404.40
|
3.1
|
2
|
9
|
116.82
|
6
|
|
|
4',5-Dihydroxy-3',5',7,8-tetramethoxyflavone
|
374.30
|
2.9
|
2
|
8
|
107.59
|
5
|
|
|
5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
|
346.30
|
2.7
|
2
|
7
|
94.45
|
4
|
|
|
5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone
|
346.30
|
2.7
|
2
|
7
|
94.45
|
4
|
|
|
5-Hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
|
566.50
|
5.7
|
4
|
10
|
159.8
|
5
|
|
|
Puddumin A
|
448.40
|
0.4
|
5
|
10
|
155.14
|
5
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
432.40
|
0.2
|
7
|
10
|
181.05
|
3
|
|
|
Chrysoeriol-7-O-beta-D-glucoside
|
462.40
|
0.8
|
6
|
11
|
179.28
|
5
|
|
|
5,7-Dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-6-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
|
438.50
|
6.1
|
3
|
6
|
96.22
|
7
|
|
|
Gossypetin 3,8,3',4'-tetramethyl ether
|
374.30
|
3.1
|
2
|
8
|
107.59
|
5
|
|
|
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
|
596.50
|
-1.4
|
9
|
15
|
245.29
|
6
|
|
|
Maximaisoflavone H
|
296.27
|
3
|
0
|
5
|
57.9
|
2
|
|
|
Pyriculol
|
248.27
|
1.6
|
3
|
4
|
77.76
|
5
|
|
|
Epipyriculol
|
248.27
|
1.6
|
3
|
4
|
77.76
|
5
|
|
|
Guggulsterone E&Z
|
312.40
|
3.9
|
0
|
2
|
34.14
|
0
|
|
|
3-Isomangostin
|
410.50
|
5.7
|
2
|
6
|
89.13
|
3
|
|
|
6-Deoxy-gamma-mangostin
|
380.40
|
6.3
|
3
|
5
|
90.9
|
4
|
|
|
3-Isomangostin Hydrate
|
428.50
|
4.3
|
3
|
7
|
109.36
|
4
|
|
|
1-Isomangostin Hydrate
|
428.50
|
3.8
|
3
|
7
|
109.36
|
4
|
|
|
Quercetagetin 3,3'-dimethyl ether
|
346.30
|
2.5
|
4
|
8
|
129.59
|
3
|
|
|
1-[2-Methoxy-2-(4-nitrophenyl)ethyl]sulfonyl-4-methylbenzene
|
335.40
|
2.7
|
0
|
5
|
94.89
|
5
|
|
|
(2S,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
490.40
|
1.4
|
5
|
12
|
185.35
|
6
|
|
|
(R)-Mucronulatol
|
302.32
|
2.9
|
2
|
5
|
68.15
|
3
|
|
|
[(2S)-2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propyl] acetate
|
470.80
|
10.8
|
0
|
2
|
26.3
|
4
|
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