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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Erythrosine
|
879.90
|
|
0
|
5
|
81.65
|
0
|
|
|
2-[[2-[(3-Pyridinylcarbonyl)amino]benzoyl]amino]-3,4,5-trimethoxybenzoic acid methyl ester
|
465.50
|
3.4
|
2
|
8
|
125.08
|
9
|
|
|
crosatoside B
|
446.40
|
-1.5
|
7
|
11
|
178.53
|
7
|
|
|
(25S)-5beta-spirostan-3beta-yl beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside
|
1035.20
|
-0.9
|
12
|
22
|
335.06
|
11
|
|
|
6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-4-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)t
|
770.70
|
-1.6
|
11
|
19
|
304.21
|
13
|
|
|
(2S,3R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
852.10
|
1.8
|
8
|
15
|
220.46
|
7
|
|
|
(R)-[(4S)-5-methyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
|
282.40
|
2.6
|
1
|
3
|
36.36
|
2
|
|
|
3,6-bis(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione
|
354.26
|
-3.5
|
7
|
12
|
203.44
|
4
|
|
|
p-Digallussaure
|
324.24
|
-0.6
|
7
|
9
|
175.75
|
3
|
|
|
Digalloylglucose
|
484.40
|
-2.7
|
11
|
14
|
273.74
|
9
|
|
|
1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
|
418.40
|
-0.1
|
7
|
9
|
167.91
|
3
|
|
|
6-beta-Hydroxyhyoscyamine
|
305.40
|
0.9
|
2
|
5
|
70
|
5
|
|
|
Caffeoylglucose
|
342.30
|
-2.2
|
7
|
9
|
175.75
|
8
|
|
|
2,3,4,6-Tetramethyl-d-galactose
|
240.29
|
-2.4
|
5
|
6
|
118.22
|
5
|
|
|
12-Octadecadienoic acid
|
280.40
|
6.5
|
1
|
2
|
37.3
|
14
|
|
|
trans-4-Hydroxymethyl-D-proline
|
146.16
|
-3.2
|
3
|
4
|
69.56
|
2
|
|
|
3-(Isoxazolin-5-on-2-yl)alanin
|
174.15
|
-3.5
|
2
|
6
|
92.86
|
3
|
|
|
(3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-3,4-bis(3,4,5-trihydroxybenzoyl)-1,6-bis(3,4,5-trihydroxyphenyl)hexane-1,2,6-trione
|
788.60
|
-2.4
|
17
|
22
|
429.26
|
13
|
|
|
Hexagalloylglucose
|
1092.80
|
-2
|
23
|
30
|
584.78
|
17
|
|
|
(14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
|
358.60
|
8.5
|
1
|
1
|
20.23
|
13
|
|
|
Ficin
|
300.84
|
2
|
1
|
2
|
23.85
|
1
|
|
|
Vinylenformamidin
|
112.13
|
-1.6
|
4
|
2
|
99.74
|
2
|
|
|
2-O-p-Cumaroylglycerol
|
238.24
|
0.5
|
3
|
5
|
86.99
|
6
|
|
|
6-Galloylglucose
|
332.26
|
-3.1
|
8
|
10
|
195.98
|
7
|
|
|
Graminol
|
190.24
|
1.9
|
1
|
2
|
28.4
|
2
|
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