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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3R,5S)-5-[(1R,2R,3S,8R,10R,11R,15S,16S)-3,10-diacetyloxy-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-15-yl]-2-oxooxan-3-yl] acetate
|
602.70
|
4.6
|
0
|
10
|
131.5
|
7
|
|
|
[(1S,3bR,4R,5aR,10aR,10bR,12aS)-1-[(3S,5R)-5-hydroxy-6-oxooxan-3-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-4-yl] acetate
|
500.60
|
4.7
|
1
|
7
|
99.13
|
3
|
|
|
(3S,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
|
442.70
|
7.6
|
2
|
2
|
40.46
|
0
|
|
|
DL-Homophenylalanine
|
179.22
|
-1.2
|
2
|
3
|
63.32
|
4
|
|
|
5-[6-Hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
|
446.60
|
8.7
|
3
|
4
|
73.83
|
7
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
446.60
|
3.9
|
2
|
5
|
75.99
|
0
|
|
|
Kenposide A
|
448.50
|
-0.8
|
6
|
10
|
158.3
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(1R,2R)-1,3-dihydroxy-2-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
538.50
|
-0.3
|
7
|
12
|
187.76
|
12
|
|
|
(3R,4aS,6aS,10aR,10bR)-3,4a,7,7,10a-pentamethyl-3-[(2R)-oxiran-2-yl]-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
|
320.50
|
3.2
|
0
|
3
|
38.83
|
1
|
|
|
(3R,4aS,6aS,10aR,10bR)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
|
320.50
|
3.2
|
0
|
3
|
38.83
|
1
|
|
|
(3R,4aS,6aS,8R,10aR,10bR)-3,4a,7,7,10a-pentamethyl-3-[(2R)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
|
322.50
|
3.5
|
1
|
3
|
41.99
|
1
|
|
|
(3S,3aR,4R,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
|
278.30
|
-0.6
|
2
|
5
|
83.83
|
1
|
|
|
[(3S,3aR,4S,7R,8R,9S,9aS,9bS)-4,7,9-trihydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] acetate
|
340.40
|
-1
|
3
|
7
|
113.29
|
2
|
|
|
9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
|
556.50
|
2.4
|
3
|
12
|
151.6
|
7
|
|
|
(Z)-4-[(1R,2R,17R,19S)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
|
560.60
|
5.4
|
2
|
8
|
119.36
|
5
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
1065.20
|
-3
|
13
|
24
|
372.36
|
11
|
|
|
(3S,4R,5S)-4-hydroxy-3-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one
|
624.90
|
10.4
|
3
|
7
|
105.45
|
25
|
|
|
(2R,3S)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
|
454.50
|
5
|
4
|
7
|
116.45
|
7
|
|
|
Ginseng Tetrapeptide
|
459.50
|
-4.9
|
8
|
9
|
252.32
|
15
|
|
|
Luteolin 3'-o-glucuronide
|
462.40
|
0.8
|
7
|
12
|
207.35
|
4
|
|
|
3-[[3,4-dihydroxy-5-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]methyl]-4-methyl-6-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
|
466.70
|
9.2
|
4
|
4
|
80.92
|
4
|
|
|
2,4,6-Trimethylbenzaldehyde
|
148.20
|
2.5
|
0
|
1
|
17.07
|
1
|
|
|
N-[(3R,4R,10R,13S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide
|
466.70
|
6.4
|
2
|
3
|
52.57
|
4
|
|
|
(2R,3R)-2-(2,4-Dihydroxy-phenyl)-3,7-dihydroxy-8-(5-hydroxy-2-isopropenyl-5-methyl-hexyl)-5-methoxy-chroman-4-one
|
472.50
|
3.7
|
5
|
8
|
136.68
|
8
|
|
|
Griseoviridin
|
477.50
|
1.3
|
4
|
9
|
176.29
|
0
|
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