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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-Butene-1,4-diol diacetate
|
172.18
|
0.3
|
0
|
4
|
52.6
|
6
|
|
|
2-Ethenyl-2-methyl-5-propan-2-yloxolane
|
154.25
|
2.8
|
0
|
1
|
9.23
|
2
|
|
|
Thiophene-2,5-dicarbonitrile
|
134.16
|
1.7
|
0
|
3
|
75.82
|
0
|
|
|
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
|
556.90
|
14.9
|
0
|
2
|
26.3
|
28
|
|
|
3-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
626.50
|
-1.8
|
11
|
17
|
289.66
|
7
|
|
|
Sachaliside
|
312.31
|
-0.4
|
5
|
7
|
119.61
|
5
|
|
|
Vimalin
|
326.34
|
-0.1
|
4
|
7
|
108.61
|
6
|
|
|
2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid
|
238.67
|
-0.5
|
3
|
3
|
79.11
|
3
|
|
|
4-Chloro-D-tryptophan
|
238.67
|
-0.5
|
3
|
3
|
79.11
|
3
|
|
|
2-Nonyne
|
124.22
|
4
|
0
|
0
|
0
|
4
|
|
|
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
|
610.50
|
-1.6
|
10
|
16
|
269.43
|
7
|
|
|
Quercetin 3-arabinoside 7-glucoside
|
596.50
|
-1.4
|
10
|
16
|
269.43
|
6
|
|
|
6'-O-Galloylsucrose
|
494.40
|
-3.1
|
10
|
15
|
256.29
|
8
|
|
|
6-O-Galloylsucrose
|
494.40
|
-3.1
|
10
|
15
|
256.29
|
8
|
|
|
1'-O-Galloylsucrose
|
494.40
|
-3.1
|
10
|
15
|
256.29
|
8
|
|
|
[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
616.50
|
1
|
10
|
16
|
277.27
|
7
|
|
|
Quercilicoside A
|
666.80
|
2.5
|
8
|
11
|
197.37
|
5
|
|
|
1,10,11-Trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
504.70
|
4.3
|
5
|
6
|
118.22
|
2
|
|
|
24-Hydroxytormentic acid
|
504.70
|
4.3
|
5
|
6
|
118.22
|
2
|
|
|
Taraxasterol palmitate
|
665.10
|
17
|
0
|
2
|
26.3
|
16
|
|
|
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate
|
665.10
|
17
|
0
|
2
|
26.3
|
16
|
|
|
2-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one
|
342.30
|
3.1
|
0
|
6
|
67.13
|
5
|
|
|
5,6,2',3',4'-Pentamethoxyflavone
|
372.40
|
3
|
0
|
7
|
76.36
|
6
|
|
|
Junosmarin
|
346.40
|
2.6
|
1
|
6
|
85.97
|
4
|
|
|
Androsta-3,5-dien-7-one
|
270.40
|
5.2
|
0
|
1
|
17.07
|
0
|
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