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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Erythravine
|
299.40
|
1.6
|
1
|
4
|
41.93
|
2
|
|
|
1,3-Dihydroxy-2,6-dimethoxy-8-methylxanthen-9-one
|
302.28
|
3.1
|
2
|
6
|
89.13
|
2
|
|
|
3-[2-[(4aS,8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2H-furan-5-one
|
316.40
|
3.7
|
0
|
3
|
43.37
|
3
|
|
|
Isonerylgeraniol-18-oic acid
|
320.50
|
5.3
|
2
|
3
|
57.53
|
11
|
|
|
2-(5-Methoxy-2,2-dimethylchromen-6-yl)-1-benzofuran-6-ol
|
322.40
|
4.5
|
1
|
4
|
51.83
|
2
|
|
|
(1S,6R,7R,13R)-7-[2-(furan-3-yl)ethyl]-2,13-dimethyl-9-oxatricyclo[5.3.3.01,6]tridec-2-ene-4,10-dione
|
328.40
|
2.8
|
0
|
4
|
56.51
|
3
|
|
|
Cappariloside A
|
334.32
|
-0.5
|
5
|
7
|
138.96
|
4
|
|
|
3,3-Dimethylhexane
|
114.23
|
4.1
|
0
|
0
|
0
|
3
|
|
|
(1R,2R,4S,5S,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
|
348.40
|
0.7
|
3
|
5
|
94.83
|
1
|
|
|
(13aR)-3,4,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
|
363.40
|
4.8
|
0
|
4
|
30.93
|
3
|
|
|
Glycerylphosphorylcholine
|
257.22
|
-2.3
|
2
|
6
|
108.86
|
8
|
|
|
(1R,4S,5R,9S,10S,12S,13R,15S)-12-acetyloxy-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
376.50
|
3.2
|
2
|
5
|
83.83
|
3
|
|
|
Burseranin
|
382.40
|
3.2
|
0
|
7
|
72.45
|
2
|
|
|
Sacidumlignan A
|
384.40
|
4.7
|
2
|
6
|
77.38
|
5
|
|
|
1-(2,4,6-Trihydroxyphenyl)-11-(2-hydroxyphenyl)undecan-1-one
|
386.50
|
6.8
|
4
|
5
|
97.99
|
12
|
|
|
Ophiobolin C
|
386.60
|
5.3
|
1
|
3
|
54.37
|
5
|
|
|
caesalpinin F
|
418.50
|
2.1
|
1
|
7
|
103.04
|
4
|
|
|
Gambogenone
|
452.50
|
5.7
|
3
|
6
|
111.9
|
4
|
|
|
(Z)-epsilon-Viniferin
|
454.50
|
5.4
|
5
|
6
|
110.38
|
4
|
|
|
Gomphoside
|
518.60
|
1.8
|
3
|
8
|
114.68
|
1
|
|
|
Euphorbia factor L1
|
552.70
|
4.7
|
0
|
8
|
108.5
|
8
|
|
|
(2,4-dihydroxyphenyl)-[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone
|
566.60
|
6.2
|
7
|
8
|
158.68
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[4-hydroxy-3-[2-hydroxy-3-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
570.50
|
-0.8
|
10
|
14
|
239.22
|
7
|
|
|
Caseargrewiin C
|
576.70
|
4.5
|
1
|
10
|
134.66
|
13
|
|
|
[(1S,4S,5R,6S)-4,5-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
|
596.70
|
5.8
|
0
|
6
|
77.54
|
6
|
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