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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-(Hydroxymethyl)-1-methylphenanthrene-2,7-diol
|
254.28
|
3.2
|
3
|
3
|
60.69
|
1
|
|
|
7-Methoxy-6-methylpyren-2-ol
|
262.30
|
5
|
1
|
2
|
29.46
|
1
|
|
|
Rubralide A
|
224.17
|
0.6
|
2
|
6
|
93.06
|
2
|
|
|
Rubralide C
|
210.18
|
1
|
2
|
5
|
75.99
|
1
|
|
|
Methyl 2,4-diformyl-3,5-dihydroxybenzoate
|
224.17
|
1.1
|
2
|
6
|
100.9
|
4
|
|
|
[(3aS,4S,9S,9aR)-7-acetyloxy-9-(4-acetyloxy-3-methoxyphenyl)-6-methoxy-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-yl] acetate
|
484.50
|
2.7
|
0
|
9
|
106.59
|
9
|
|
|
[4-[[(3S,4S)-3-acetyloxy-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2,6-dimethoxyphenyl] acetate
|
502.50
|
3.5
|
0
|
10
|
115.82
|
12
|
|
|
[4-[[(3S,4S)-4-acetyloxy-4-[(4-acetyloxy-3,5-dimethoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-2-methoxyphenyl] acetate
|
530.50
|
3.3
|
0
|
11
|
132.89
|
13
|
|
|
(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one
|
418.40
|
2.8
|
2
|
8
|
103.68
|
8
|
|
|
[(2S,3R,4S,5R,6R)-2-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate
|
632.60
|
0.1
|
7
|
15
|
231.13
|
10
|
|
|
[(2S,3R,4R,5S)-3,4-dihydroxy-5-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxyoxolan-2-yl]methyl acetate
|
606.50
|
0.1
|
7
|
15
|
235.04
|
8
|
|
|
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
580.50
|
-0.3
|
9
|
15
|
249.2
|
6
|
|
|
[(2S,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl acetate
|
622.50
|
-0.3
|
8
|
16
|
255.27
|
8
|
|
|
4-Furo[3,4-g][1,3]benzodioxol-6-yl-3-methoxyphenol
|
284.26
|
3.3
|
1
|
5
|
61.06
|
2
|
|
|
(2S)-8-[[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]methyl]-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-7-ol
|
524.60
|
6.9
|
2
|
6
|
77.38
|
6
|
|
|
(2S)-6-[[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]methyl]-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-7-ol
|
524.60
|
6.9
|
2
|
6
|
77.38
|
6
|
|
|
(2S)-8-[[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]methyl]-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
|
538.60
|
7.2
|
2
|
6
|
77.38
|
6
|
|
|
octyl 6-O-alpha-l-arabinopyranosyl-beta-d-glucopyranoside
|
424.50
|
-0.7
|
6
|
10
|
158.3
|
11
|
|
|
(2S)-5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
|
424.50
|
5.9
|
4
|
6
|
107.22
|
5
|
|
|
(-)-Praeruptorin B
|
426.50
|
4.3
|
0
|
7
|
92.04
|
6
|
|
|
(3S,8S,9R,10S,13S,14R,17S)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
4
|
|
|
3,5,7-trihydroxy-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
|
432.40
|
0.6
|
6
|
10
|
170.05
|
3
|
|
|
(5R,5aR,8aR)-4-methoxy-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
|
428.40
|
3.3
|
0
|
8
|
81.68
|
5
|
|
|
1,3-dihydroxy-7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]xanthen-9-one
|
396.40
|
4.6
|
3
|
6
|
100.13
|
6
|
|
|
(1R,2S,5R,6S,8S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-5-ol
|
254.36
|
1.3
|
2
|
3
|
49.69
|
1
|
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