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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S,9S,10S)-2-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
|
264.36
|
0.8
|
1
|
3
|
43.78
|
0
|
|
|
Calpurmenine
|
280.36
|
-0.4
|
2
|
4
|
64.01
|
0
|
|
|
3-beta,4-alpha,13-alpha-Trihydroxylupanine
|
296.36
|
-0.9
|
3
|
5
|
84.24
|
0
|
|
|
(1R,9R,10R,12R)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
260.33
|
0.6
|
1
|
3
|
45.47
|
0
|
|
|
Isosparteine, alpha
|
234.38
|
2.5
|
0
|
2
|
6.48
|
0
|
|
|
(1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde
|
262.35
|
1.3
|
0
|
2
|
40.62
|
2
|
|
|
methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
|
292.37
|
1.7
|
0
|
3
|
49.85
|
3
|
|
|
ethyl (1S,2R,9S,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
|
306.40
|
2.1
|
0
|
3
|
49.85
|
4
|
|
|
Cinevanine
|
414.50
|
2.5
|
1
|
6
|
79.31
|
4
|
|
|
Calpurmeninepyrrolecarboxylic acid
|
373.40
|
1
|
2
|
5
|
85.87
|
3
|
|
|
Calpaurine
|
389.40
|
0.4
|
3
|
6
|
106.1
|
3
|
|
|
13-alpha-Hydroxymultiflorine
|
262.35
|
0.6
|
1
|
4
|
43.78
|
0
|
|
|
5-Dehydromultiflorine
|
244.33
|
1.5
|
0
|
3
|
25.24
|
0
|
|
|
15-beta-Hydroxy-17-oxolupanine
|
278.35
|
0.2
|
1
|
3
|
60.85
|
0
|
|
|
13-beta-Hydroxymultiflorine
|
262.35
|
0.6
|
1
|
4
|
43.78
|
0
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
|
448.40
|
0.9
|
7
|
11
|
190.28
|
3
|
|
|
Vinaginsenoside R4
|
963.20
|
1.1
|
13
|
19
|
318.37
|
13
|
|
|
Euphorbiasteroid
|
552.70
|
4.7
|
0
|
8
|
108.5
|
8
|
|
|
Helicteric acid
|
618.80
|
9.6
|
1
|
6
|
89.9
|
8
|
|
|
8-Hydroxydihydrochelerythrine
|
365.40
|
3.7
|
1
|
6
|
60.39
|
2
|
|
|
(3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
|
370.40
|
3.8
|
0
|
6
|
63.22
|
6
|
|
|
3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid
|
318.17
|
-4.6
|
7
|
11
|
211.86
|
9
|
|
|
[(E,6R)-6-[(2S,8S,9R,10S,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
|
558.70
|
2.6
|
3
|
8
|
138.2
|
6
|
|
|
(3S,6R,8S,9R,10S,12R,13R,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
440.40
|
-1.4
|
4
|
11
|
169.05
|
1
|
|
|
(3S,6R,8S,10R,13R,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
408.40
|
0.6
|
2
|
9
|
128.59
|
1
|
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