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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aS,5S,8R,8aS)-5,8-dihydroxy-3,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
|
264.32
|
1
|
2
|
4
|
66.76
|
0
|
|
|
3-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enyl]-5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol
|
482.60
|
6.2
|
6
|
6
|
121.38
|
10
|
|
|
(2S)-5,7-dihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
|
456.50
|
4.8
|
4
|
7
|
116.45
|
8
|
|
|
(15S)-11-hydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
|
432.50
|
5.5
|
1
|
6
|
78.13
|
2
|
|
|
(1S,13S,14R,21R)-14,21-dihydroxy-6,17-bis(2-phenylethyl)-7,12,16-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15(20),17-hexaene-4,19-dione
|
548.60
|
4
|
2
|
7
|
110.11
|
6
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aS,10aR)-5-hydroxy-1,4a-dimethyl-7-propan-2-yl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
|
656.70
|
1.3
|
9
|
14
|
236.06
|
8
|
|
|
(5R,8R)-3-methyl-8-[(1S,3S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]-1,6-dioxaspiro[4.4]non-3-en-2-one
|
464.60
|
6.9
|
0
|
4
|
52.6
|
1
|
|
|
3-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-6,8-dimethylchromen-4-one
|
372.40
|
3.3
|
2
|
7
|
98.36
|
4
|
|
|
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,3-dihydrochromen-4-one
|
470.50
|
4.8
|
5
|
8
|
136.68
|
8
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenoxy)oxane-3,4,5-triol
|
304.25
|
-1.6
|
7
|
9
|
160.07
|
3
|
|
|
[(4S,4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-5-yl] acetate
|
516.80
|
6.4
|
3
|
5
|
86.99
|
3
|
|
|
(2S)-2-[2,4-dihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
424.50
|
5.9
|
4
|
6
|
107.22
|
5
|
|
|
(1R,4S,5S,11R)-11-hydroxy-4,10-dimethyl-12-methylidenetricyclo[5.3.2.01,5]dodec-9-en-8-one
|
232.32
|
1.7
|
1
|
2
|
37.3
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(1R,2R,3S,4S)-2-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-bis(4-hydroxyphenyl)cyclobutyl]-4,6-dihydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
812.80
|
0.5
|
14
|
18
|
320.14
|
10
|
|
|
(8R,9S,11bS)-7,8,11-trihydroxy-3,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one
|
342.40
|
2.5
|
3
|
5
|
86.99
|
0
|
|
|
(1S,6S)-3,9-dihydroxy-1,6-dimethyl-5,16-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,8,12,14(18)-pentaene-11,17-dione
|
354.40
|
2.5
|
2
|
6
|
93.06
|
0
|
|
|
(2S)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-2,3-dihydrochromen-4-one
|
486.60
|
4.8
|
4
|
8
|
125.68
|
9
|
|
|
8-Chloro-5,6,7-trihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
|
362.80
|
3.9
|
3
|
6
|
100.13
|
4
|
|
|
(1S,2S)-1-methoxy-1-(2,4,5-trimethoxyphenyl)propan-2-ol
|
256.29
|
1.3
|
1
|
5
|
57.15
|
6
|
|
|
(1S,4S,5S,6R,9S,10R,13R,14S)-5,6-dihydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
|
322.40
|
2.9
|
3
|
4
|
77.76
|
1
|
|
|
[(1R,3R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
|
646.70
|
0.6
|
5
|
13
|
190.67
|
14
|
|
|
4,5-dihydroxy-2-methyl-1-[(10S)-1,8,10-trihydroxy-6-methyl-9-oxo-10-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-2-yl]anthracene-9,10-dione
|
670.60
|
2.8
|
9
|
13
|
242.51
|
3
|
|
|
[(10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxy-2-[[(10R,11S,12R,13S,15R)-3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-13-[3,4,5-trihydroxy-2-[[(10R,11S,12R,13S,15R)-3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]benzoyl]oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]benzoate
|
2811.90
|
6
|
43
|
78
|
1310.54
|
31
|
|
|
(3aS,4R,5Z,9E,11aS)-4-hydroxy-3,6-dimethyl-2-oxo-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-10-carbaldehyde
|
264.32
|
1.2
|
1
|
4
|
63.6
|
1
|
|
|
[(2S,3R,4R,5R,6S)-5-acetyloxy-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate
|
548.40
|
1.7
|
6
|
14
|
222.65
|
7
|
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