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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2R,6R,7R,10R,11S,12S,14S,15S,16R,18R)-14-acetyloxy-6-(furan-3-yl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-18-yl] 2-methylpropanoate
|
632.70
|
2.5
|
2
|
12
|
168.03
|
9
|
|
|
(1R,4R,5R,8R,10S,11R,13R,14R,16R,17S,18S,19S,20R,21S)-10,11,16-trihydroxy-4,5,9,9,13,19,20-heptamethyl-22,25-dioxaheptacyclo[19.2.1.116,19.01,18.04,17.05,14.08,13]pentacosan-23-one
|
502.70
|
4.6
|
3
|
6
|
96.22
|
0
|
|
|
(1R,4R,5R,8R,10S,11R,13R,14R,16R,17S,18S,19S,21S)-10,11,16-trihydroxy-4,5,9,9,13,20,20-heptamethyl-22,25-dioxaheptacyclo[19.2.1.116,19.01,18.04,17.05,14.08,13]pentacosan-23-one
|
502.70
|
4.8
|
3
|
6
|
96.22
|
0
|
|
|
(1R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
470.70
|
5.6
|
3
|
4
|
77.76
|
1
|
|
|
[(1R,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-1-formyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] acetate
|
360.50
|
3.4
|
1
|
4
|
63.6
|
4
|
|
|
(1R,2R,4aS,4bR,6S,7S,10aS)-2-acetyloxy-7-ethenyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
376.50
|
3.4
|
2
|
5
|
83.83
|
4
|
|
|
[(2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-6-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] acetate
|
346.50
|
4.7
|
1
|
3
|
46.53
|
3
|
|
|
(1S,4S,9S,10S,12S,13R,14S)-13,14-dihydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecan-6-one
|
318.40
|
2.4
|
2
|
3
|
57.53
|
0
|
|
|
(1S,4S,9S,10S,12R,15R)-15-hydroxy-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecan-6-one
|
302.50
|
3.5
|
1
|
2
|
37.3
|
0
|
|
|
Eurifoloid Q
|
336.50
|
2.4
|
3
|
4
|
77.76
|
2
|
|
|
(5R)-3-methoxy-2-methyl-5-octyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
|
305.50
|
6
|
1
|
3
|
42.09
|
8
|
|
|
(5S,8R)-3,8-dimethoxy-2-methyl-5-octyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
|
335.50
|
5.3
|
1
|
4
|
51.32
|
9
|
|
|
3,8-dimethoxy-2-methyl-5-octyl-1H-quinolin-4-one
|
331.40
|
6.1
|
1
|
4
|
51.32
|
9
|
|
|
(5R)-2-(hydroxymethyl)-1,3-dimethoxy-5-octyl-5,6,7,8-tetrahydroquinolin-4-one
|
351.50
|
5
|
1
|
5
|
60.69
|
10
|
|
|
(5S)-1,3-dimethoxy-2-methyl-5-octyl-5,6,7,8-tetrahydroquinolin-4-one
|
335.50
|
6.2
|
0
|
4
|
40.46
|
9
|
|
|
(5R)-3,4-dimethoxy-2-methyl-1-oxido-5-(5-phenylpentyl)-5,6,7,8-tetrahydroquinolin-1-ium
|
369.50
|
5.3
|
0
|
3
|
45.4
|
8
|
|
|
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-26-acetyloxy-7,25-dihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] hexanoate
|
1209.40
|
5.6
|
7
|
25
|
339.11
|
22
|
|
|
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-26-acetyloxy-7,25-dihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] octanoate
|
1237.50
|
6.6
|
7
|
25
|
339.11
|
24
|
|
|
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] octanoate
|
1195.40
|
6.1
|
8
|
24
|
333.04
|
22
|
|
|
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexanoyloxy-2-methyl-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] octanoate
|
1209.50
|
6.6
|
8
|
24
|
333.04
|
24
|
|
|
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-5-octanoyloxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] octanoate
|
1237.50
|
7.7
|
8
|
24
|
333.04
|
26
|
|
|
[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-octanoyloxyoxan-2-yl]oxy-6-methyl-2-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] decanoate
|
1265.60
|
8.8
|
8
|
24
|
333.04
|
28
|
|
|
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-5-octanoyloxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] octanoate
|
1253.50
|
7.2
|
9
|
25
|
353.27
|
27
|
|
|
(3S)-3-hydroxy-11-(4-hydroxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyridazino[1,2-a]indazol-10-ium-1-one
|
313.40
|
1.9
|
2
|
3
|
66.34
|
1
|
|
|
1-Hydroxy-11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium
|
295.40
|
4
|
2
|
2
|
49.27
|
1
|
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