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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-N-methylalbonoursin
|
270.33
|
2.6
|
1
|
2
|
54.86
|
2
|
|
|
2-[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetic acid
|
349.40
|
0.2
|
2
|
6
|
79.23
|
5
|
|
|
2-Butyltetrahydrofuran
|
128.21
|
2.4
|
0
|
1
|
9.23
|
3
|
|
|
hydron;(2S)-2-hydroxybutanedioate
|
134.09
|
|
3
|
5
|
100.49
|
1
|
|
|
Nonalactone
|
156.22
|
1.6
|
0
|
2
|
26.3
|
0
|
|
|
5-Hydroxy-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
|
536.50
|
1.1
|
5
|
13
|
186.74
|
8
|
|
|
6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione
|
266.33
|
1.5
|
1
|
4
|
63.6
|
0
|
|
|
(3S,3aS,5aR,6R,9S,9aS,9bS)-6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione
|
266.33
|
1.5
|
1
|
4
|
63.6
|
0
|
|
|
Dolichosterone
|
462.70
|
4.6
|
4
|
5
|
97.99
|
5
|
|
|
6-Deoxodolichosterone
|
448.70
|
6.2
|
4
|
4
|
80.92
|
5
|
|
|
(2R,3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
|
448.70
|
6.2
|
4
|
4
|
80.92
|
5
|
|
|
17-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
|
450.70
|
6.3
|
4
|
4
|
80.92
|
5
|
|
|
6-Deoxocastasterone
|
450.70
|
6.3
|
4
|
4
|
80.92
|
5
|
|
|
6-Deoxohomodolichosterone
|
462.70
|
6.4
|
4
|
4
|
80.92
|
5
|
|
|
(2R,3S,5S,8R,9S,10S,13S,14S,17R)-17-[(E,2S,3R,4R)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
|
462.70
|
6.4
|
4
|
4
|
80.92
|
5
|
|
|
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
|
492.50
|
0.9
|
5
|
11
|
164.37
|
9
|
|
|
Malabaricano
|
344.40
|
3.7
|
2
|
5
|
68.15
|
4
|
|
|
Tetrahydrofuroguaiacin B
|
344.40
|
3.7
|
2
|
5
|
68.15
|
4
|
|
|
Fragransin B1
|
404.50
|
3.7
|
2
|
7
|
86.61
|
6
|
|
|
4-[(2S,3S,4S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
|
404.50
|
3.7
|
2
|
7
|
86.61
|
6
|
|
|
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
|
404.50
|
3.7
|
2
|
7
|
86.61
|
6
|
|
|
Fragransin C1
|
374.40
|
3.7
|
2
|
6
|
77.38
|
5
|
|
|
4-[(2S,3S,4R,5R)-5-(4-Hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
|
374.40
|
3.7
|
2
|
6
|
77.38
|
5
|
|
|
4-[(2S,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
|
|
|
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
|
374.40
|
3.7
|
2
|
6
|
77.38
|
5
|
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