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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-4-hydroxy-2,3-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
564.50
|
0.3
|
5
|
13
|
174.99
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6S,6aR)-3-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3,4-trimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
624.60
|
0.7
|
4
|
14
|
173.22
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[6-[(3R,3aR,6S,6aR)-3-(2-hydroxy-3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3,4-trimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
640.60
|
0.4
|
5
|
15
|
193.45
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6S,6aR)-3-(2-hydroxy-3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3,4-trimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
640.60
|
0.4
|
5
|
15
|
193.45
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6R,6aR)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3,4-trimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
608.60
|
0.6
|
4
|
14
|
173.22
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[6-[(3R,3aS,6R,6aS)-6-(2,3,4,5-tetramethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-hydroxy-2,3-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
640.60
|
0.4
|
5
|
15
|
193.45
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[5-[(3R,3aS,6R,6aS)-3-(5-hydroxy-2,3,4-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3,4-trimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
640.60
|
0.4
|
5
|
15
|
193.45
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[5-[(3R,3aS,6R,6aS)-3-(2,3,4,5-tetramethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3,4-trimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
654.70
|
0.7
|
4
|
15
|
182.45
|
12
|
|
|
2-methyl-1-[(1R,9R,12S,13S)-3,5,13-trihydroxy-12-(2-hydroxypropan-2-yl)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-yl]propan-1-one
|
364.40
|
2.6
|
4
|
6
|
107.22
|
3
|
|
|
1-[(2R,4aS,10aS)-7,9-dihydroxy-2-(2-hydroxypropan-2-yl)-4a-methyl-3,4,10,10a-tetrahydro-2H-pyrano[3,2-b]chromen-6-yl]-2-methylpropan-1-one
|
364.40
|
3.2
|
3
|
6
|
96.22
|
3
|
|
|
1-[(2S,4aR,10aR)-7,9-dihydroxy-2-(2-hydroxypropan-2-yl)-4a-methyl-3,4,10,10a-tetrahydro-2H-pyrano[3,2-b]chromen-6-yl]-2-methylpropan-1-one
|
364.40
|
3.2
|
3
|
6
|
96.22
|
3
|
|
|
2-methyl-1-[(1S,9S,12R,13R)-3,5,13-trihydroxy-12-(2-hydroxypropan-2-yl)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-yl]propan-1-one
|
364.40
|
2.6
|
4
|
6
|
107.22
|
3
|
|
|
1-[(1S,3aS,10aR)-1,7,9-trihydroxy-1,4,4-trimethyl-3,3a,10,10a-tetrahydro-2H-cyclopenta[c][1]benzoxepin-6-yl]-2-methylpropan-1-one
|
348.40
|
3.7
|
3
|
5
|
86.99
|
2
|
|
|
2-methyl-1-[2,4,6-trihydroxy-3-[[(1R,2S,5S)-2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclopentyl]methyl]phenyl]propan-1-one
|
366.40
|
2.9
|
5
|
6
|
118.22
|
5
|
|
|
1-[(1R,3aR,10aS)-1,7,9-trihydroxy-1,4,4-trimethyl-3,3a,10,10a-tetrahydro-2H-cyclopenta[c][1]benzoxepin-6-yl]-2-methylpropan-1-one
|
348.40
|
3.7
|
3
|
5
|
86.99
|
2
|
|
|
2-methyl-1-[2,4,6-trihydroxy-3-[[(1S,2R,5R)-2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclopentyl]methyl]phenyl]propan-1-one
|
366.40
|
2.9
|
5
|
6
|
118.22
|
5
|
|
|
bis[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] (1S,2R,3S,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1481.30
|
1.6
|
18
|
34
|
551
|
20
|
|
|
bis[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] (1S,2R,3S,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1513.30
|
0.8
|
20
|
36
|
591.46
|
20
|
|
|
bis[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] (1S,2S,3S,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1481.30
|
1.6
|
18
|
34
|
551
|
20
|
|
|
bis[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] (1R,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1481.30
|
1.6
|
18
|
34
|
551
|
20
|
|
|
bis[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] (1R,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1513.30
|
0.8
|
20
|
36
|
591.46
|
20
|
|
|
1-O-[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] 2-O-[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] (1R,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1497.30
|
1.2
|
19
|
35
|
571.23
|
20
|
|
|
bis[[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] (1S,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1481.30
|
1.6
|
18
|
34
|
551
|
20
|
|
|
5-[(1S)-1-[(1aR,4R,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-4-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
454.60
|
7
|
3
|
5
|
94.83
|
6
|
|
|
5-[(1R)-1-[(1aR,4R,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-4-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
454.60
|
7
|
3
|
5
|
94.83
|
6
|
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