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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-[3-[(E)-2-[(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
810.70
|
1.1
|
13
|
18
|
309.14
|
10
|
|
|
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-[(2R,3R)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
824.80
|
1.4
|
12
|
18
|
298.14
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-[(2S,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
824.80
|
1.4
|
12
|
18
|
298.14
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
824.80
|
1.6
|
11
|
18
|
287.14
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
824.80
|
1.6
|
11
|
18
|
287.14
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[3-[(E)-2-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
810.70
|
1.2
|
12
|
18
|
298.14
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,3S,4R)-6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
522.50
|
0.5
|
7
|
11
|
178.53
|
8
|
|
|
(4S,8S,10R,14S,18R,19R)-18-(furan-3-yl)-10-hydroxy-4,9,9,19-tetramethyl-5,17-dioxa-2-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1,3(11),12-triene-6,16-dione
|
451.50
|
2.2
|
1
|
7
|
98.86
|
1
|
|
|
3-[(2R,3R)-4-[(4R,6R,7R)-4-ethoxy-6-(2-methoxy-2-oxoethyl)-5,5,7-trimethyl-6,7-dihydro-4H-1-benzofuran-2-yl]-2-(furan-3-yl)-3-methyl-6-oxo-2H-pyran-3-yl]propanoic acid
|
528.60
|
3.5
|
1
|
9
|
125.41
|
10
|
|
|
methyl 3-[(2R,3R)-4-[(4R,6R,7R)-4-acetyloxy-6-(2-methoxy-2-oxoethyl)-5,5,7-trimethyl-6,7-dihydro-4H-1-benzofuran-2-yl]-2-(furan-3-yl)-3-methyl-6-oxo-2H-pyran-3-yl]propanoate
|
556.60
|
3.5
|
0
|
10
|
131.48
|
11
|
|
|
3-[(2R,3R)-2-(furan-3-yl)-4-[(4R,6R,7R)-6-(2-methoxy-2-oxoethyl)-5,5,7-trimethyl-4-[(2S)-2-methylbutanoyl]oxy-6,7-dihydro-4H-1-benzofuran-2-yl]-3-methyl-6-oxo-2H-pyran-3-yl]propanoic acid
|
584.70
|
4.5
|
1
|
10
|
142.48
|
12
|
|
|
3-[(2R,3R)-2-(furan-3-yl)-4-[(4R,6R,7R)-6-(2-methoxy-2-oxoethyl)-5,5,7-trimethyl-4-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-4H-1-benzofuran-2-yl]-3-methyl-6-oxo-2H-pyran-3-yl]propanoic acid
|
582.60
|
4.3
|
1
|
10
|
142.48
|
11
|
|
|
3-[(2R,3R)-2-(furan-3-yl)-4-[(4R,6R,7R)-6-(2-methoxy-2-oxoethyl)-5,5,7-trimethyl-4-(2-methylpropanoyloxy)-6,7-dihydro-4H-1-benzofuran-2-yl]-3-methyl-6-oxo-2H-pyran-3-yl]propanoic acid
|
570.60
|
4.2
|
1
|
10
|
142.48
|
11
|
|
|
3-[(2R,3R)-2-(furan-3-yl)-4-[2-[(4R,5R)-4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohexen-1-yl]acetyl]-3-methyl-6-oxo-2H-pyran-3-yl]propanoic acid
|
500.50
|
2.6
|
1
|
9
|
137.18
|
10
|
|
|
Isocampneoside I
|
654.60
|
-1.1
|
9
|
16
|
254.52
|
12
|
|
|
(2R,3R,4S,5S)-2-[(2E,4S)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
|
302.36
|
0.3
|
4
|
6
|
99.38
|
6
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-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
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2E,4S)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]oxan-2-yl]methyl acetate
|
374.40
|
0.2
|
4
|
8
|
125.68
|
9
|
|
|
(3R,4S,4aR,5S,8aR)-4-hydroxy-3,4a,5-trimethyl-3,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-2-one
|
250.33
|
2.6
|
1
|
3
|
46.53
|
0
|
|
|
(2r)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one
|
304.25
|
1.5
|
5
|
7
|
127.45
|
1
|
|
|
[(2R,3S,4R,5R,6R)-6-[[(3S,4aS,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-2-methylbut-2-enoate
|
1175.40
|
-0.6
|
14
|
24
|
383.36
|
15
|
|
|
(1R,4S,5R)-4-methoxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
|
168.28
|
2.7
|
0
|
1
|
9.23
|
2
|
|
|
(3aS,5aR,7R,8S,10aR,10bS)-8-(2-hydroxypropan-2-yl)-3a,10b-dimethylspiro[1,2,4,5,5a,6,8,9,10,10a-decahydrocyclohepta[e]indene-7,5'-oxolane]-2',3-dione
|
362.50
|
3.3
|
1
|
4
|
63.6
|
1
|
|
|
[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
|
506.40
|
0.9
|
7
|
13
|
216.58
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[4-[(1R,2S,3S,4R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
947.10
|
-1.1
|
12
|
20
|
316.6
|
14
|
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