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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2E,4S)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
|
464.50
|
-1.3
|
7
|
11
|
178.53
|
10
|
|
|
[(1'R,2R,2'S,3R,3aS,6S,6'S,7aR,8'S,10'S,11'R,14'S,16'S)-4-acetyl-3,6,6',11'-tetramethyl-17'-oxospiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,5'-7-oxapentacyclo[8.8.0.02,8.06,8.011,16]octadecane]-14'-yl] acetate
|
527.70
|
3.2
|
0
|
6
|
85.44
|
2
|
|
|
(3aR,4S,6E,10E,11aS)-4-hydroxy-3-methylidene-2-oxo-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
|
440.40
|
-1.7
|
5
|
10
|
162.98
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16R,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
740.90
|
2.6
|
7
|
13
|
196.99
|
6
|
|
|
1,11-Dihydroxy-1,2,6a,6b,9,12a-hexamethyl-10-sulfooxy-9-(sulfooxymethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
664.80
|
3
|
5
|
12
|
221.72
|
6
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-[[(1R,2R,3R,5R)-5-[(1R)-1-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-2-hydroxyethyl]-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
962.90
|
-3.4
|
10
|
24
|
362.88
|
21
|
|
|
(1S,2R,2'R,4S,6S,7S,8R,9S,12S,13R,16S)-2'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-oxane]-2',16-diol
|
446.60
|
3.8
|
3
|
5
|
79.15
|
1
|
|
|
(1S,2R,2'S,4S,6S,7S,8R,9S,12S,13R,16S)-2'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-oxane]-2',16-diol
|
446.60
|
3.8
|
3
|
5
|
79.15
|
1
|
|
|
(1S,4S,5S)-5-[(1S,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-2-methylbicyclo[2.2.0]hex-2-ene
|
202.33
|
3.7
|
0
|
0
|
0
|
1
|
|
|
[(1R,2R,4S,7E,9R,10R,11S)-10-hydroxy-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-9-yl] 2-methylpropanoate
|
350.40
|
1.9
|
1
|
6
|
85.36
|
3
|
|
|
methyl (1S,2R,5Z,7E)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
|
404.50
|
4.1
|
0
|
6
|
78.9
|
5
|
|
|
[(2S,3R,4R,5S,6R)-2-[[(4S,4aR,7S,10aS,11bS)-7-hydroxy-4,8,11b-trimethyl-9-oxo-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxy-3,5-dimethoxybenzoate
|
674.70
|
2.1
|
5
|
13
|
190.67
|
9
|
|
|
(2S,7aS,11aR,12R)-5,7a-dihydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-2,3,11a,12-tetrahydropyrano[2,3-a]xanthene-4,9,11-trione
|
506.60
|
5.2
|
2
|
7
|
110.13
|
2
|
|
|
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-6-prop-2-enyl-3,4-dihydro-2H-chromen-3-ol
|
342.40
|
3.5
|
2
|
5
|
68.15
|
5
|
|
|
[(1R,5Z,7R,9R,10S)-6,7-dihydroxy-10-methyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate
|
280.36
|
1.7
|
2
|
4
|
66.76
|
3
|
|
|
(2S,3R,4S,4aS,6aS,6bR,8aS,12aS,14aS,14bS)-8a-[(2R,3S,4S,5R,6R)-3-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S)-5-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1719.80
|
-2.9
|
20
|
39
|
603.49
|
24
|
|
|
(3S,6R,7R,8R,11R,12R,15S,16R,19R,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethyl-22-oxopentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carbaldehyde
|
470.70
|
5.7
|
2
|
4
|
74.6
|
1
|
|
|
(2S)-2-(3,5-dihydroxyphenyl)-5,8-dihydroxy-2,3-dihydrochromen-4-one
|
288.25
|
2
|
4
|
6
|
107.22
|
1
|
|
|
methyl (1S,4aR,5S,8aS)-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
306.40
|
3.7
|
0
|
3
|
43.37
|
5
|
|
|
3-[4-methoxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid
|
398.40
|
-0.1
|
5
|
10
|
159.05
|
7
|
|
|
(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-6-methoxy-2,3-dihydrochromen-4-one
|
302.28
|
1.8
|
3
|
6
|
96.22
|
2
|
|
|
(2S)-2-[(1R)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
|
238.37
|
2.5
|
2
|
2
|
40.46
|
5
|
|
|
(9S)-15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-one
|
279.29
|
3
|
2
|
4
|
58.56
|
1
|
|
|
[10-Methoxy-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undec-5-en-6-yl]methyl acetate
|
446.40
|
-2.6
|
4
|
12
|
170.44
|
7
|
|
|
[(1S,4R,7S,8S,10R,11S)-10-methoxy-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undec-5-en-6-yl]methyl acetate
|
446.40
|
-2.6
|
4
|
12
|
170.44
|
7
|
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