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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S)-3-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
|
272.25
|
2
|
3
|
5
|
86.99
|
1
|
|
|
1-[(8R,9S,10R,13S,14S)-10,13-dimethyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
|
329.50
|
3.8
|
2
|
2
|
32.26
|
2
|
|
|
[(2R,3R,4S,5R,6R)-2-[[(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate
|
704.70
|
0.3
|
8
|
15
|
249.97
|
9
|
|
|
[(2R,3S,4R,5R,6R)-6-[[(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
|
704.70
|
-0.3
|
8
|
15
|
249.97
|
9
|
|
|
(4aS,10aS,11S,11aR,11bR)-11-hydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-3,9-dione
|
346.40
|
1.3
|
2
|
5
|
83.83
|
1
|
|
|
(4aS,6S,10aS,11S,11aS,11bR)-6,11-dihydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-3,9-dione
|
362.40
|
0
|
3
|
6
|
104.06
|
1
|
|
|
(4aR,6aS,7S,10aR,11aS,11bR)-6a,7-dihydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,7,10a,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9,11-dione
|
348.40
|
2.3
|
2
|
5
|
83.83
|
0
|
|
|
(4aR,10aS,11R,11aR,11bR)-10a,11-dihydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,3,4a,5,6,11,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one
|
348.40
|
2.3
|
3
|
5
|
86.99
|
1
|
|
|
[(1S,2S,6R,10R,11R,13S,15S)-6,15-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
|
390.50
|
0.5
|
3
|
6
|
104.06
|
3
|
|
|
(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-diene-8-carboxylic acid
|
404.50
|
1.3
|
3
|
7
|
121.13
|
3
|
|
|
(2R,3R)-2,3-Dihydro-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
|
332.30
|
2.1
|
3
|
7
|
105.45
|
3
|
|
|
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
(2S,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
galloyl(-2)[galloyl(-3)]Hex-O-galloyl
|
636.50
|
0.9
|
11
|
18
|
310.66
|
10
|
|
|
1,2,3-tri-O-galloyl--d-glucose
|
636.50
|
0.9
|
11
|
18
|
310.66
|
10
|
|
|
(1R,3R,4S,5R)-1,3-dihydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
|
496.40
|
0
|
9
|
14
|
251.74
|
7
|
|
|
3-O-Galloylhamamelitannin
|
636.50
|
0.1
|
11
|
18
|
310.66
|
11
|
|
|
Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside
|
650.50
|
0.9
|
10
|
18
|
299.66
|
11
|
|
|
galloyl(-2)[galloyl(-3)][galloyl(-4)][galloyl(-6)]a-Glc1Me
|
802.60
|
2.1
|
12
|
22
|
366.42
|
14
|
|
|
3,3'-Di-O-galloylprodelphinidin B5
|
914.70
|
4
|
16
|
22
|
394.74
|
9
|
|
|
3,3'-Digalloylprodelphinidin B2
|
914.70
|
4
|
16
|
22
|
394.74
|
9
|
|
|
galloyl(-6)Glc(a)-O-EtPh(4-OH)
|
452.40
|
0.2
|
7
|
11
|
186.37
|
8
|
|
|
6'-O-Galloylsalidroside
|
452.40
|
0.2
|
7
|
11
|
186.37
|
8
|
|
|
Diethyl 2-hydroxypentanedioate
|
204.22
|
0.4
|
1
|
5
|
72.83
|
8
|
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