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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
9H-Xanthen-9-one, 2-hydroxy-5-methoxy-
|
242.23
|
2.6
|
1
|
4
|
59.67
|
1
|
|
|
Undecyl acetate
|
214.34
|
5
|
0
|
2
|
26.3
|
11
|
|
|
(6S,6aS,9aS,9bR)-6a-hydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
|
278.30
|
0.1
|
2
|
5
|
83.83
|
1
|
|
|
Ephedradine B
|
522.60
|
1.4
|
4
|
7
|
112.16
|
2
|
|
|
Lucidine B
|
467.70
|
5
|
0
|
3
|
35.91
|
2
|
|
|
18-Norabieta-8,11,13-trien-4-ol
|
272.40
|
4.9
|
1
|
1
|
20.23
|
1
|
|
|
Methyl nonanoate
|
172.26
|
4.1
|
0
|
2
|
26.3
|
8
|
|
|
Methyl undecanoate
|
200.32
|
5.2
|
0
|
2
|
26.3
|
10
|
|
|
9,12-Octadecadienoic acid (9Z,12Z)-, 1,1'-[2-[(1-oxohexadecyl)oxy]-1,3-propanediyl] ester
|
855.40
|
20.9
|
0
|
6
|
78.9
|
50
|
|
|
9,12-Octadecadienoic acid, 1,1'-[2-[(1-oxooctadecyl)oxy]-1,3-propanediyl] ester
|
883.40
|
22
|
0
|
6
|
78.9
|
52
|
|
|
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] octadecanoate
|
887.40
|
23.6
|
0
|
6
|
78.9
|
54
|
|
|
Leiocarposide
|
614.50
|
-0.9
|
9
|
16
|
254.52
|
11
|
|
|
(2S,4R)-4-acetamidopiperidine-2-carboxylic acid
|
186.21
|
-3
|
3
|
4
|
78.43
|
2
|
|
|
5-Pentylcyclohexa-1,3-diene
|
150.26
|
4.7
|
0
|
0
|
0
|
4
|
|
|
Telocinobufatoxin
|
714.90
|
2.8
|
6
|
10
|
227.77
|
16
|
|
|
20-Hydroxyecdysone 22-acetate
|
522.70
|
1
|
5
|
8
|
144.52
|
7
|
|
|
Phenylalanyl-Lysine
|
293.36
|
-2.7
|
4
|
5
|
118.44
|
9
|
|
|
(E)-Avenanthramide D
|
283.28
|
3.6
|
3
|
4
|
86.63
|
4
|
|
|
Methyl tridecanoate
|
228.37
|
6.3
|
0
|
2
|
26.3
|
12
|
|
|
[(2R)-2-hexadecanoyloxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadecanoate
|
731.10
|
12.4
|
4
|
10
|
151.98
|
37
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
941.10
|
2.1
|
10
|
18
|
291.82
|
9
|
|
|
Soyasaponin V
|
959.10
|
1.9
|
12
|
19
|
315.21
|
10
|
|
|
2-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-3-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
|
370.40
|
3.2
|
1
|
7
|
87.36
|
3
|
|
|
Sirodesmin PL
|
486.60
|
-0.6
|
2
|
10
|
184.28
|
3
|
|
|
SchisandrinB
|
416.50
|
3.9
|
1
|
7
|
75.61
|
4
|
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