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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
562.50
|
-0.4
|
8
|
13
|
219.74
|
4
|
|
|
Neolinustatin
|
423.40
|
-3.3
|
7
|
12
|
202.32
|
7
|
|
|
1,3,5-Trimethoxyxanthone
|
286.28
|
2.9
|
0
|
5
|
57.9
|
3
|
|
|
(5E)-3-methyl-5-[4-[(2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
|
317.40
|
2.7
|
0
|
5
|
55.84
|
5
|
|
|
Butyl Rosmarinate
|
416.40
|
3.9
|
4
|
8
|
133.52
|
11
|
|
|
6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one
|
356.32
|
-1.3
|
4
|
9
|
134.91
|
4
|
|
|
Methyl (1S,9S,10R,11S,12S,19S)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
|
456.50
|
1.3
|
1
|
8
|
88.54
|
6
|
|
|
Vomilenine
|
350.40
|
1.4
|
1
|
5
|
62.13
|
2
|
|
|
L-Rhamnofuranose
|
164.16
|
-1.5
|
4
|
5
|
90.15
|
1
|
|
|
L-Octanoylcarnitine
|
287.39
|
3.4
|
0
|
4
|
66.43
|
11
|
|
|
(S)-2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)succinic acid
|
340.28
|
0.9
|
3
|
9
|
139.59
|
9
|
|
|
(6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
|
170.25
|
1.2
|
1
|
2
|
29.46
|
0
|
|
|
Flavonol 3-O-beta-D-glucoside
|
400.40
|
1.2
|
4
|
8
|
129.59
|
4
|
|
|
Bougainvillein-r-I
|
712.60
|
-2.5
|
11
|
19
|
328.53
|
9
|
|
|
Celosianin II
|
902.80
|
0.1
|
11
|
23
|
381.13
|
14
|
|
|
Lampranthin II
|
726.60
|
0.9
|
8
|
17
|
284.91
|
11
|
|
|
Spirasine I
|
355.50
|
1.6
|
1
|
4
|
49.77
|
0
|
|
|
Spiredine
|
353.50
|
1.7
|
0
|
4
|
46.61
|
0
|
|
|
Gymnemic acid I
|
807.00
|
3.9
|
7
|
14
|
229.74
|
10
|
|
|
Senegin II
|
1457.60
|
-0.7
|
16
|
32
|
494.88
|
21
|
|
|
Theasaponin
|
1233.30
|
-0.2
|
14
|
27
|
426.73
|
17
|
|
|
Catharine
|
822.90
|
2.8
|
2
|
12
|
168.01
|
10
|
|
|
Montanol
|
352.50
|
2.9
|
2
|
4
|
66.76
|
8
|
|
|
CID 11953926
|
385.50
|
0.7
|
3
|
5
|
78.79
|
3
|
|
|
Tabernamine
|
616.80
|
6.5
|
2
|
4
|
64.36
|
4
|
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