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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4-hydroxy-3,6,10-trimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
|
428.50
|
-0.7
|
5
|
9
|
145.91
|
3
|
|
|
9-Methoxy-7-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
|
474.40
|
0.8
|
4
|
11
|
157.28
|
5
|
|
|
7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one
|
562.50
|
-0.8
|
6
|
13
|
197.74
|
8
|
|
|
7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
|
592.50
|
-0.8
|
6
|
14
|
206.97
|
9
|
|
|
Xyl(a1-6)Glc(b1-4)[Xyl(a1-6)]Glc(b1-4)b-Glc
|
768.70
|
-10.5
|
15
|
24
|
386.52
|
11
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
556.60
|
1.7
|
5
|
11
|
176.12
|
9
|
|
|
[(3R,3aS,6S,6aS,8R,9aR,9bR)-3,6,9a-trimethyl-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[4,5-b]furan-8-yl] acetate
|
308.40
|
2.7
|
0
|
5
|
69.67
|
2
|
|
|
(3R,3aS,6S,6aS,8R,9aR,9bR)-8-hydroxy-3,6,9a-trimethyl-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[8,7-b]furan-2,9-dione
|
266.33
|
2.1
|
1
|
4
|
63.6
|
0
|
|
|
1-aci-nitro-2-(1H-indol-3-yl)ethane
|
190.20
|
1
|
2
|
2
|
62.09
|
2
|
|
|
N-(2-Methylpropyl)dodeca-2,4,8,10-tetraenamide
|
247.38
|
4.2
|
1
|
1
|
29.1
|
8
|
|
|
2-gamma-Linolenoyl-1,3-dilinoleoyl-sn-glycerol
|
877.40
|
19.6
|
0
|
6
|
78.9
|
49
|
|
|
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))
|
881.40
|
21
|
0
|
6
|
78.9
|
51
|
|
|
TG(16:0/18:3(9Z,12Z,15Z)/16:0)
|
829.30
|
20.7
|
0
|
6
|
78.9
|
49
|
|
|
TG(16:0/18:3(6Z,9Z,12Z)/16:0)
|
829.30
|
20.7
|
0
|
6
|
78.9
|
49
|
|
|
TG(18:0/18:3(9Z,12Z,15Z)/18:0)
|
885.40
|
22.9
|
0
|
6
|
78.9
|
53
|
|
|
1-Stearoyl-2-g-linolenoyl-3-stearoyl-glycerol
|
885.40
|
22.9
|
0
|
6
|
78.9
|
53
|
|
|
5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone
|
422.50
|
6.2
|
4
|
6
|
111.13
|
5
|
|
|
Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-
|
448.60
|
4.2
|
3
|
5
|
79.15
|
0
|
|
|
4-Dodecylbenzene-1,2-diol
|
278.40
|
7.3
|
2
|
2
|
40.46
|
11
|
|
|
Phloraspine
|
432.50
|
4.5
|
5
|
8
|
144.52
|
9
|
|
|
Gambiriin C
|
562.50
|
2.7
|
9
|
11
|
200.53
|
3
|
|
|
[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone
|
648.70
|
7.9
|
7
|
9
|
171.82
|
7
|
|
|
4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-11-(4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-
|
608.70
|
6.1
|
2
|
8
|
83.86
|
7
|
|
|
galloyl(-2)[galloyl(-4)][galloyl(-6)]a-Glc
|
636.50
|
0.4
|
11
|
18
|
310.66
|
10
|
|
|
6,8-dihydroxy-2,2,4,4-tetramethyl-5-(2-methylbutanoyl)-9-(2-methylpropyl)-9H-xanthene-1,3-dione
|
442.50
|
5.9
|
2
|
6
|
100.9
|
5
|
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