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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(6R,8S)-tricosane-6,8-diol
|
356.60
|
9.4
|
2
|
2
|
40.46
|
20
|
|
|
Isothymonin
|
360.30
|
2.6
|
3
|
8
|
118.59
|
4
|
|
|
12-Methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
|
363.40
|
4.1
|
0
|
6
|
49.39
|
1
|
|
|
Isomitraphylline
|
368.40
|
1.6
|
1
|
5
|
67.87
|
2
|
|
|
(5E)-3-methyl-5-[4-[(2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
|
317.40
|
2.7
|
0
|
5
|
55.84
|
5
|
|
|
[2-[2-(acetyloxymethyl)oxiran-2-yl]-4-hydroxy-5-methylphenyl] (Z)-2-methylbut-2-enoate
|
320.30
|
2.1
|
1
|
6
|
85.36
|
7
|
|
|
Ovalitenin C
|
322.30
|
3.9
|
0
|
5
|
57.9
|
4
|
|
|
Ovalifoliolatin A
|
324.40
|
3.6
|
1
|
4
|
55.76
|
1
|
|
|
Galactinol
|
342.30
|
-5.3
|
9
|
11
|
200.53
|
3
|
|
|
(7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
|
344.60
|
4.6
|
0
|
2
|
6.48
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[(1R,2S,5R)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
350.40
|
-1.2
|
6
|
8
|
139.84
|
5
|
|
|
(2S)-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
|
368.40
|
3.7
|
1
|
5
|
64.99
|
6
|
|
|
euglobal IIC
|
386.50
|
5.4
|
2
|
5
|
83.83
|
5
|
|
|
(1S,3S,5S,6S,9R,10S)-10-hydroxy-1',6'-dimethoxy-1-propanoylspiro[7-oxa-2-azatricyclo[4.3.1.03,9]decane-5,3'-indole]-2'-one
|
388.40
|
0.3
|
2
|
7
|
97.33
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,6S,7aR)-2-[(1R)-1-hydroxyethyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
388.50
|
-0.7
|
5
|
8
|
128.84
|
4
|
|
|
11-Butyl-2,7-dihydroxybenzo[b]triphenylene-9,14-dione
|
396.40
|
6.5
|
2
|
4
|
74.6
|
3
|
|
|
1-[(2R,3R,4R,5R)-2-[(7S,8S)-7,8-dihydroxy-8-[(2R)-piperidin-2-yl]octyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone
|
402.50
|
0
|
6
|
7
|
133.49
|
10
|
|
|
(2S,3R,4S)-3-ethenyl-4-(2-methoxy-2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
|
404.40
|
-1.6
|
5
|
11
|
172.21
|
8
|
|
|
(+/-)-nicolaioidesin C
|
406.50
|
6.1
|
2
|
4
|
66.76
|
7
|
|
|
4-Methyl-6-hepten-3-one
|
126.20
|
2
|
0
|
1
|
17.07
|
4
|
|
|
Scopadulcic acid B
|
438.60
|
5.2
|
1
|
5
|
80.67
|
4
|
|
|
Bisabolol oxide B
|
238.37
|
2.5
|
1
|
2
|
29.46
|
2
|
|
|
Cyclohexanol, 1-methyl-4-(1-methylethyl)-, 1-acetate
|
198.30
|
3.2
|
0
|
2
|
26.3
|
3
|
|
|
(1R,2R,5S,8S,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
|
492.50
|
-0.4
|
5
|
10
|
162.98
|
4
|
|
|
galloyl(-3)Glc(b)-O-coumaroyl(3-OH)
|
494.40
|
0.5
|
8
|
13
|
223.67
|
8
|
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