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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-[(2R,3R)-7-hydroxy-5-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
|
680.70
|
7.7
|
7
|
9
|
160.07
|
6
|
|
|
Cauloside F
|
1237.40
|
-2.5
|
16
|
27
|
433.05
|
15
|
|
|
(1R,2R,5E,9Z)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
|
306.50
|
4.1
|
1
|
2
|
29.46
|
1
|
|
|
Euphorbia factor L9
|
643.70
|
5.4
|
0
|
10
|
135.16
|
10
|
|
|
Qianhucoumarin G
|
262.26
|
1.6
|
2
|
5
|
79.9
|
1
|
|
|
Curculigoside C
|
482.40
|
0.3
|
6
|
12
|
184.6
|
9
|
|
|
6(1H)-Azulenone, 2,3-dihydro-1,4-dimethyl
|
174.24
|
1.8
|
0
|
1
|
17.07
|
0
|
|
|
Flavanthrin
|
482.50
|
5.9
|
4
|
6
|
99.38
|
3
|
|
|
[(4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-4-(chloromethyl)-4-hydroxy-8-[(2R)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (E)-2-methylbut-2-enoate
|
585.10
|
2.5
|
2
|
10
|
145.66
|
12
|
|
|
[(1S)-2-[(1S,2R,4S,4aR,5R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate
|
534.60
|
3.6
|
0
|
9
|
117.73
|
12
|
|
|
Eurycomalin A
|
406.40
|
5.2
|
2
|
6
|
93.06
|
5
|
|
|
Officinaruminane B
|
400.60
|
7.5
|
0
|
1
|
17.07
|
10
|
|
|
Salvianan
|
321.40
|
6
|
0
|
3
|
35.26
|
0
|
|
|
(R,S)-sophoraflavanone C
|
424.50
|
5.8
|
4
|
6
|
107.22
|
6
|
|
|
18-Beta-hydroxy-3-epi-alpha-yohimbine
|
370.40
|
2
|
3
|
5
|
85.79
|
2
|
|
|
Rosamultic acid
|
486.70
|
4
|
4
|
5
|
97.99
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
927.10
|
2.8
|
10
|
18
|
291.82
|
9
|
|
|
(-)-Toddanol
|
290.31
|
2.7
|
1
|
5
|
68.9
|
5
|
|
|
Methyl 5-O-feruloylquinate
|
382.40
|
0.2
|
4
|
9
|
142.75
|
7
|
|
|
Shegansu B
|
514.50
|
5.3
|
5
|
8
|
128.84
|
6
|
|
|
Gnetin D
|
470.50
|
5
|
6
|
7
|
130.61
|
4
|
|
|
(3S,10R,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
4
|
|
|
CID 102004745
|
492.60
|
7.7
|
4
|
6
|
107.22
|
8
|
|
|
Ampelopsin F
|
454.50
|
4.6
|
6
|
6
|
121.38
|
2
|
|
|
(1S,4S,8R,9R,12S,13R,14S,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
362.40
|
1.5
|
2
|
6
|
93.06
|
0
|
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