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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-O-Acetylpinobanksin
|
314.29
|
2.8
|
2
|
6
|
93.06
|
3
|
|
|
(R)-2,4,6-Trimethyl-3-oxo-2,3-Dihydro-1H-indene-5-acetic acid
|
232.27
|
2.4
|
1
|
3
|
54.37
|
2
|
|
|
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
552.70
|
0.4
|
6
|
10
|
166.14
|
5
|
|
|
2,4-Dichlorophenoxyacetic acid
|
221.03
|
2.8
|
1
|
3
|
46.53
|
3
|
|
|
1,7-Dihydroxy-3,5-dimethoxy-9H-xanthen-9-one
|
288.25
|
2.7
|
2
|
6
|
89.13
|
2
|
|
|
Ethyl 2-acetamido-2-(dimethylamino)acetate
|
188.22
|
0
|
1
|
4
|
58.64
|
5
|
|
|
5-[6-hydroxy-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-1-benzofuran-2-yl]benzene-1,3-diol
|
326.30
|
3.6
|
4
|
5
|
94.06
|
4
|
|
|
Grantionin
|
328.30
|
2.7
|
1
|
6
|
78.13
|
4
|
|
|
Grantioidinin
|
418.40
|
3.4
|
1
|
9
|
105.82
|
7
|
|
|
Peonidin 3-sophoroside 5-glucoside
|
787.70
|
|
13
|
20
|
338.9
|
11
|
|
|
kaempferol-3-O-(2-O-acetyl-alpha-L-rhamnopyranoside)
|
474.40
|
1.8
|
5
|
11
|
176.12
|
5
|
|
|
3''-O-Acetylafzelin
|
474.40
|
1.8
|
5
|
11
|
176.12
|
5
|
|
|
4''-O-Acetylafzelin
|
474.40
|
1.8
|
5
|
11
|
176.12
|
5
|
|
|
7-Keto-11c-octadecenoic acid
|
296.40
|
4.9
|
1
|
3
|
54.37
|
15
|
|
|
2,4,6,7,8-Pentamethoxyphenanthren-3-ol
|
344.40
|
3.9
|
1
|
6
|
66.38
|
5
|
|
|
3,4,7,8-Tetramethoxyphenanthrene-2,6-diol
|
330.30
|
3.6
|
2
|
6
|
77.38
|
4
|
|
|
[(2R,3R,4R,5R,6S)-3,4-diacetyloxy-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-5-hydroxyoxan-2-yl]methyl acetate
|
576.50
|
1.8
|
5
|
14
|
215.58
|
12
|
|
|
6-beta-D-Glucopyranosyldiosmetin
|
462.40
|
0.2
|
7
|
11
|
190.28
|
4
|
|
|
[2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
|
360.30
|
2.4
|
3
|
8
|
122.52
|
4
|
|
|
(E)-Isosyringin
|
372.40
|
-0.3
|
5
|
9
|
138.07
|
7
|
|
|
(3S)-3-[3-(dimethylamino)propyl]-3H-2-benzofuran-1-one
|
219.28
|
1.8
|
0
|
3
|
29.54
|
4
|
|
|
3-(2,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
|
482.50
|
5.9
|
4
|
6
|
99.38
|
3
|
|
|
6-(2,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-1-[(4-hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
|
588.60
|
7.5
|
5
|
7
|
119.61
|
5
|
|
|
1-[2,7-Dihydroxy-8-[(4-hydroxyphenyl)methyl]-5-methoxy-9,10-dihydrophenanthren-3-yl]-4-methoxyphenanthrene-2,7-diol
|
586.60
|
8.1
|
5
|
7
|
119.61
|
5
|
|
|
1,8-Bis[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol
|
452.50
|
6.8
|
4
|
5
|
90.15
|
5
|
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