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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,3,8-Trihydroxy-9-methoxy-[1]benzofuro[2,3-b]chromen-11-one
|
314.25
|
3.2
|
3
|
7
|
113.27
|
1
|
|
|
3,8-Dihydroxy-9-methoxy-[1]benzofuro[2,3-b]chromen-11-one
|
298.25
|
3
|
2
|
6
|
93.04
|
1
|
|
|
D-Altritol
|
182.17
|
-3.1
|
6
|
6
|
121.38
|
5
|
|
|
1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylic acid
|
215.25
|
1.2
|
2
|
4
|
75.63
|
4
|
|
|
6-Deoxyglucitol
|
166.17
|
-2
|
5
|
5
|
101.15
|
4
|
|
|
8,4'-Dihydroxyisoflavone
|
254.24
|
2.5
|
2
|
4
|
70.67
|
1
|
|
|
1-O-caffeoyl-(6-O-galloyl)-beta-d-glucopyranose
|
494.40
|
0
|
8
|
13
|
223.67
|
8
|
|
|
galloyl(-6)Glc(b)-O-coumaroyl
|
478.40
|
0.3
|
7
|
12
|
203.44
|
8
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
538.50
|
0.3
|
7
|
14
|
221.9
|
10
|
|
|
[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate
|
484.40
|
-1.4
|
7
|
12
|
195.6
|
7
|
|
|
[(3S,4R,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
|
552.50
|
-0.3
|
7
|
13
|
204.83
|
11
|
|
|
(3aS,6R,6aR,8S,9aR,9bS)-6,8-dihydroxy-6-methyl-3,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
|
264.32
|
0.7
|
2
|
4
|
66.76
|
0
|
|
|
(3S,3aS,6R,6aR,8S,9aR,9bS)-6,8-dihydroxy-3,6-dimethyl-9-methylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
|
266.33
|
0.8
|
2
|
4
|
66.76
|
0
|
|
|
[(3R,3aR,6aR,9S,9aR,9bR)-3-(hydroxymethyl)-9-methyl-6-methylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-3-yl] acetate
|
322.40
|
1.1
|
1
|
6
|
89.9
|
3
|
|
|
[(2S,5S,6R,7S,9S)-9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.02,6]trideca-1(13),10-dien-7-yl] acetate
|
308.33
|
1.1
|
1
|
6
|
85.97
|
2
|
|
|
[(3aS,4S,5S,6S,10R,11S,11aR)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
|
454.50
|
2.2
|
2
|
9
|
136.43
|
6
|
|
|
(Z)-2-[2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol
|
338.50
|
2.7
|
4
|
4
|
80.92
|
6
|
|
|
[(1R,3S,5S,6S,7R,8R,9S,10R,13R)-8-acetyloxy-3-(furan-3-yl)-5,6,9-trimethyl-11-oxospiro[2-oxatricyclo[7.3.1.05,13]tridecane-10,2'-oxirane]-7-yl] acetate
|
446.50
|
1.9
|
0
|
8
|
104.57
|
5
|
|
|
Lup-20(29)-ene-2alpha,3beta-diol
|
442.70
|
8.9
|
2
|
2
|
40.46
|
1
|
|
|
(3beta)-3-(Sulfooxy)olean-12-en-28-oic Acid
|
536.80
|
7.1
|
2
|
6
|
109.28
|
3
|
|
|
1,4,5-Trihydroxy-3-prenylxanthone
|
312.30
|
4.4
|
3
|
5
|
90.9
|
2
|
|
|
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one
|
310.30
|
3.7
|
2
|
5
|
79.9
|
0
|
|
|
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxyxanthen-9-one
|
380.40
|
6.2
|
3
|
5
|
90.9
|
5
|
|
|
11-Methoxy-2,2,12-trimethyl-5,6-dihydronaphtho[2,1-f]chromene-8,9-diol
|
338.40
|
4.4
|
2
|
4
|
58.92
|
1
|
|
|
11-Methoxy-2,2,12-trimethylnaphtho[2,1-f]chromene-8,9-diol
|
336.40
|
5
|
2
|
4
|
58.92
|
1
|
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