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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Bisandrographolide A
|
664.90
|
6.1
|
4
|
8
|
133.52
|
8
|
|
|
Affinisine
|
308.40
|
2
|
1
|
2
|
28.4
|
1
|
|
|
Isoflavone, 2',4',5-trihydroxy-7-methoxy-
|
302.28
|
2.4
|
3
|
6
|
96.22
|
2
|
|
|
acerogenin A
|
298.40
|
4.4
|
2
|
3
|
49.69
|
0
|
|
|
3-Hydroxy-5-methoxybiphenyl
|
200.23
|
3.2
|
1
|
2
|
29.46
|
2
|
|
|
(4S,5S,7E,10R,11R)-5,8-dihydroxy-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione
|
360.40
|
3
|
2
|
6
|
100.9
|
2
|
|
|
(1R,2R,5S,9S,17S)-5-hydroxy-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
|
280.36
|
0.5
|
1
|
3
|
63.6
|
0
|
|
|
(2R)-4-methyl-2-[[(2S)-1-methylpiperidin-2-yl]methyl]-2,3-dihydropyran-6-one
|
223.31
|
2
|
0
|
3
|
29.54
|
2
|
|
|
4-((4'-(Aminomethyl)-[1,1'-biphenyl]-3-yl)oxy)pyrimidine-2-carbonitrile
|
302.30
|
2.6
|
1
|
5
|
84.82
|
4
|
|
|
Verproside
|
498.40
|
-1.7
|
7
|
13
|
208.13
|
7
|
|
|
Verminoside
|
524.50
|
-1.3
|
7
|
13
|
208.13
|
8
|
|
|
(3beta)-3,27-Dihydroxyolean-12-en-28-oic acid
|
472.70
|
6.1
|
3
|
4
|
77.76
|
2
|
|
|
Isovanillyl Catapol
|
512.50
|
-1.4
|
6
|
13
|
197.13
|
8
|
|
|
Minecoside
|
538.50
|
-0.9
|
6
|
13
|
197.13
|
9
|
|
|
(2E,8Z)-9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol
|
198.22
|
2.2
|
1
|
2
|
33.37
|
3
|
|
|
2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione
|
326.50
|
6.1
|
0
|
2
|
34.14
|
8
|
|
|
Avenanthramide G
|
299.28
|
2.6
|
4
|
5
|
106.86
|
4
|
|
|
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-acetyloxy-4-(3-hydroxy-2-methylbutanoyl)oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-2-[[(1R,3R,5S,6R,7R,8R,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl] dodecanoate
|
1341.60
|
6.7
|
10
|
28
|
399.8
|
30
|
|
|
boeravinone F
|
326.26
|
2.7
|
3
|
7
|
121.11
|
0
|
|
|
5,7,4'-Trimethoxy-4-phenylcoumarin
|
312.30
|
3
|
0
|
5
|
57.9
|
4
|
|
|
(1S,11S,12S,13R)-11-hydroxy-3,17,18-trimethoxy-12,13-dimethyl-5,7-dioxapentacyclo[10.7.0.01,15.02,10.04,8]nonadeca-2,4(8),9,15,17-pentaen-19-one
|
400.40
|
2.2
|
1
|
7
|
83.45
|
3
|
|
|
(3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene
|
204.35
|
5.3
|
0
|
0
|
0
|
3
|
|
|
Kadsuphilin A
|
546.60
|
6.7
|
0
|
8
|
81.68
|
8
|
|
|
Gedunin
|
482.60
|
4.2
|
0
|
7
|
95.34
|
3
|
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