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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)-2-(3,4-dihydroxyphenyl)-2-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol
|
594.50
|
2
|
10
|
13
|
229.99
|
4
|
|
|
(4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3S,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
913.10
|
2
|
10
|
17
|
274.75
|
9
|
|
|
[(2S,3S,4R,5R,6S)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aS,6aR,6bR,8aR,9R,10S,12aR,14bR)-10-[(2R,3S,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1353.50
|
-3.5
|
17
|
30
|
471.74
|
16
|
|
|
(1R,3aR,5aS,5bS,7aS,11aR,11bS,13aS,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
|
454.70
|
7.9
|
1
|
3
|
54.37
|
2
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
594.50
|
-0.9
|
9
|
15
|
249.2
|
6
|
|
|
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bR)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4-carboxylate
|
1093.20
|
-3.2
|
15
|
24
|
394.36
|
12
|
|
|
4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-,(2R,3R)-
|
434.40
|
0.7
|
6
|
10
|
166.14
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1S,2S,4S,8S,9S,12R,13S,16R,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
903.10
|
0.9
|
11
|
18
|
287.14
|
13
|
|
|
(1R,3S,6R,7R,8R,9S,10S,11S,13R,16R,17S)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
424.40
|
-0.4
|
3
|
10
|
148.82
|
1
|
|
|
3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
448.40
|
0.9
|
7
|
11
|
190.28
|
3
|
|
|
(2R,3R,4S,5R,6R)-2-[(2E,4R)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
332.39
|
0.1
|
5
|
7
|
119.61
|
7
|
|
|
(2R,4aR,8aR)-1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
|
220.35
|
4
|
0
|
1
|
17.07
|
0
|
|
|
5-[2-(4-Hydroxyphenyl)ethenyl]cyclohexa-1,3-diene-1,3-diol
|
230.26
|
2.6
|
3
|
3
|
60.69
|
2
|
|
|
2-[[4-Hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxyphenol
|
530.60
|
6.8
|
4
|
7
|
108.61
|
11
|
|
|
[(1R,2S,3R,4R,4aS,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-2-(2-methylpropanoyloxy)-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] benzoate
|
522.60
|
5.2
|
1
|
7
|
99.13
|
8
|
|
|
[(1R,2S,3R,4R,4aS,8aR)-2-(2-acetyloxy-3-methylbutanoyl)oxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] benzoate
|
594.70
|
5.4
|
1
|
9
|
125.43
|
11
|
|
|
[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-2,3-dihydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] benzoate
|
512.60
|
3.2
|
2
|
8
|
119.36
|
8
|
|
|
[(1S,3R,4aR,5S,6R,6aR,10aS,10bS)-6-benzoyloxy-5-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-1-yl] benzoate
|
574.70
|
5.2
|
1
|
8
|
108.36
|
6
|
|
|
[(1S,3S,3'R,4aR,5S,6R,6aR,10aS,10bS)-6-benzoyloxy-3',5-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-1-yl] benzoate
|
590.70
|
4.6
|
2
|
9
|
128.59
|
6
|
|
|
[(1R,2S,3R,4R,4aS,8aR)-2-benzoyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] benzoate
|
556.60
|
5.8
|
1
|
7
|
99.13
|
8
|
|
|
[(1R,2S,3R,4R,4aS,8aR)-2,3-dihydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] benzoate
|
452.50
|
3.6
|
2
|
6
|
93.06
|
5
|
|
|
[(1R,2S,3R,4R,4aS,8aR)-1-acetyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-2-yl] 2-methylpropanoate
|
460.60
|
3.5
|
1
|
7
|
99.13
|
7
|
|
|
[(1R,2S,3R,4R,4aS,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-2-(2-methylpropanoyloxy)-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
|
523.60
|
4.1
|
1
|
8
|
112.02
|
8
|
|
|
[(1R,2S,3R,4R,4aS,8aR)-1-acetyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-2-yl] benzoate
|
494.60
|
4.1
|
1
|
7
|
99.13
|
7
|
|
|
[(1R,2S,3R,4S,4aS,8aR)-1-acetyloxy-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-2-yl] 2-methylpropanoate
|
520.60
|
3.1
|
1
|
9
|
125.43
|
10
|
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