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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-decanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] dodecanoate
|
1321.70
|
10.9
|
8
|
24
|
333.04
|
32
|
|
|
3-Ammoniopyrrolidine-3-carboxylate
|
130.15
|
-3.2
|
2
|
3
|
79.8
|
0
|
|
|
(3R,5R)-1-methylpiperidine-3,4,5-triol
|
147.17
|
-1.8
|
3
|
4
|
63.93
|
0
|
|
|
(1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
|
150.22
|
2.2
|
0
|
1
|
17.07
|
0
|
|
|
Ethyl 3,3,4-trimethylpentanoate
|
172.26
|
2.9
|
0
|
2
|
26.3
|
5
|
|
|
Hyacinthacine A2
|
173.21
|
-0.7
|
3
|
4
|
63.93
|
1
|
|
|
(2E,8E)-9-(Furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol
|
198.22
|
2.2
|
1
|
2
|
33.37
|
3
|
|
|
(2S)-2-hydroxy-3-(2-hydroxyphenyl)propanoic acid
|
182.17
|
0.8
|
3
|
4
|
77.76
|
3
|
|
|
Saikochromone A
|
222.19
|
-0.1
|
2
|
5
|
79.9
|
2
|
|
|
methyl 2-oxo-4-[(2Z)-1-oxobut-2-en-2-yl]-3,4-dihydro-2H-pyran-5-carboxylate
|
224.21
|
0.2
|
0
|
5
|
69.67
|
4
|
|
|
Eucalyptene A
|
230.26
|
2.4
|
0
|
3
|
35.53
|
6
|
|
|
Herbertenediol
|
234.33
|
4.8
|
2
|
2
|
40.46
|
1
|
|
|
Curcumanolides A
|
234.33
|
4.3
|
0
|
2
|
26.3
|
1
|
|
|
(4aR,5S,8R,8aS)-8-hydroxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
|
236.35
|
2.6
|
1
|
2
|
37.3
|
1
|
|
|
Atanine
|
243.30
|
3
|
1
|
2
|
42.09
|
3
|
|
|
Phenol, 3-[2-(4-hydroxyphenyl)ethyl]-5-methoxy-
|
244.28
|
3.4
|
2
|
3
|
49.69
|
4
|
|
|
Arctinone B
|
246.40
|
3.8
|
0
|
3
|
73.55
|
3
|
|
|
7-Tridecanone
|
198.34
|
4.9
|
0
|
1
|
17.07
|
10
|
|
|
Hippacine
|
251.24
|
2.5
|
2
|
3
|
61.94
|
0
|
|
|
(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
|
386.40
|
2.1
|
2
|
8
|
107.59
|
4
|
|
|
(2Z,4E)-4-[Cyano(I(2)-D-glucopyranosyloxy)methylene]-2-hexenedioic acid
|
359.28
|
-1.8
|
6
|
11
|
197.77
|
7
|
|
|
2-Acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione
|
256.21
|
2.5
|
1
|
5
|
84.58
|
1
|
|
|
(114C)heptadecan-1-ol
|
258.46
|
7.8
|
1
|
1
|
20.23
|
15
|
|
|
2-Hydroxy-6-(hydroxymethyl)-7,8-dimethoxynaphthalene-1-carbaldehyde
|
262.26
|
1.9
|
2
|
5
|
75.99
|
4
|
|
|
Allo-schkuhriolide
|
262.30
|
1.1
|
1
|
4
|
63.6
|
1
|
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