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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4-[(2R,3S,4S,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
|
374.40
|
3.7
|
2
|
6
|
77.38
|
5
|
|
|
5-[(2S,3S)-4-hydroxy-6-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
|
680.70
|
7.7
|
7
|
9
|
160.07
|
6
|
|
|
[(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
|
614.60
|
2.1
|
7
|
13
|
216.58
|
8
|
|
|
(2R,3R,4R,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol
|
419.40
|
|
7
|
9
|
171.37
|
3
|
|
|
4-[(2S,3R,4S,5S)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2-methoxyphenol
|
388.50
|
4
|
1
|
6
|
66.38
|
6
|
|
|
[(1R,2R,4S,5S,7S,8S,12S,13S,18S,20R,21S)-4-hydroxy-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
|
417.50
|
2.6
|
1
|
6
|
68.23
|
2
|
|
|
[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-6-[(R)-methylsulfinyl]-N-sulfooxyhexanimidothioate
|
451.50
|
-1.7
|
5
|
13
|
236.07
|
11
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-8-[(R)-methylsulfinyl]-N-sulfooxyoctanimidothioate
|
479.60
|
-0.6
|
5
|
13
|
236.07
|
13
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol
|
282.31
|
-2.8
|
4
|
8
|
135.66
|
5
|
|
|
[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-4-[(R)-methylsulfinyl]-N-sulfooxybutanimidothioate
|
423.50
|
-2.4
|
5
|
13
|
236.07
|
9
|
|
|
[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-[(R)-methylsulfinyl]-N-sulfooxypentanimidothioate
|
437.50
|
-2.1
|
5
|
13
|
236.07
|
10
|
|
|
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E,1Z)-5-[(S)-methylsulfinyl]-N-sulfooxypent-4-enimidothioate
|
435.50
|
-2
|
5
|
13
|
236.07
|
9
|
|
|
methyl (Z)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-4-methoxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
|
414.50
|
2.3
|
1
|
6
|
77.1
|
6
|
|
|
(2R,3R,4S,10S)-2,10-bis(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one
|
1028.90
|
4.1
|
16
|
21
|
377.67
|
6
|
|
|
(3E,5E)-4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)hexa-3,5-dien-2-one
|
234.25
|
2.4
|
2
|
4
|
66.76
|
4
|
|
|
4-[(2S,3R,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
|
374.40
|
3.7
|
2
|
6
|
77.38
|
5
|
|
|
6-Methyl-1-heptanol
|
130.23
|
2.8
|
1
|
1
|
20.23
|
5
|
|
|
[(1S,4R,4aS,7R,8S,8aR)-8-[2-(furan-3-yl)ethyl]-1-hydroxy-7,8-dimethyl-5-oxospiro[1,2,3,6,7,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
390.50
|
2.1
|
1
|
6
|
89.27
|
6
|
|
|
[(3R,4S,4aS,5R,6S,8aR)-4-hydroxy-3,4a,5-trimethyl-2-oxo-3,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-6-yl] (E)-2-methylbut-2-enoate
|
348.40
|
2.9
|
1
|
5
|
72.83
|
3
|
|
|
(1S,2S,3S,4S,8S,10S,13S)-8-hydroxy-2-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-one
|
296.36
|
1.6
|
1
|
5
|
68.29
|
1
|
|
|
aglaroxin A
|
519.50
|
2.7
|
2
|
8
|
106.92
|
5
|
|
|
(1R,4aR,4bR,7S,10aR)-7-hydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
|
334.40
|
3.1
|
2
|
4
|
74.6
|
2
|
|
|
6-Methoxy-1-propylcyclohexa-2,4-dien-1-ol
|
168.23
|
1.6
|
1
|
2
|
29.46
|
3
|
|
|
Thebaine N-oxide
|
327.40
|
1.6
|
0
|
4
|
50.75
|
2
|
|
|
elaeodendroside B
|
516.60
|
1.6
|
2
|
8
|
103.68
|
2
|
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