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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
11-Methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
|
250.25
|
2.4
|
0
|
3
|
43.6
|
1
|
|
|
3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[6-methoxy-2-oxo-3-(2-oxochromen-7-yl)oxychromen-7-yl]oxyoxan-2-yl]methoxy]pentanoic acid
|
658.60
|
0.5
|
5
|
16
|
241.86
|
12
|
|
|
methyl 2-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]acetate
|
362.30
|
0
|
5
|
8
|
136.68
|
4
|
|
|
6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
|
424.40
|
2.5
|
6
|
9
|
156.91
|
1
|
|
|
1-Hydroxy-2,3,5,6-tetramethoxy-10-methylacridin-9-one
|
345.30
|
3.2
|
1
|
7
|
79.15
|
4
|
|
|
1,6-Dihydroxy-2,3,5-trimethoxy-10-methylacridin-9-one
|
331.32
|
2.9
|
2
|
7
|
90.15
|
3
|
|
|
1,5-Dihydroxy-2,3-dimethoxy-10-methyl-9-acridone
|
301.29
|
2.9
|
2
|
6
|
80.92
|
2
|
|
|
1,5,6-Trihydroxy-2,3-dimethoxy-10-methylacridin-9-one
|
317.29
|
2.5
|
3
|
7
|
101.15
|
2
|
|
|
5-Methoxynoracronycine
|
337.40
|
3.9
|
1
|
5
|
60.69
|
1
|
|
|
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol
|
795.10
|
11.5
|
4
|
12
|
194.5
|
38
|
|
|
Periplocin
|
696.80
|
-0.4
|
6
|
13
|
193.83
|
7
|
|
|
(alphaE)-2,2-Dimethyl-2H-1-benzopyran-6-acrylic acid methyl ester
|
244.28
|
3.1
|
0
|
3
|
35.53
|
3
|
|
|
(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate
|
480.40
|
-0.4
|
7
|
13
|
212.67
|
5
|
|
|
[(2R,3R,4S,4aS,10bS)-3,8,9,10-tetrahydroxy-2-(hydroxymethyl)-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate
|
466.30
|
-0.1
|
8
|
13
|
223.67
|
4
|
|
|
1,2,4,6-Tetragalloyl-beta-D-glucopyranose
|
788.60
|
1.5
|
13
|
22
|
377.42
|
13
|
|
|
4-Methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
|
362.40
|
2.4
|
3
|
6
|
111.9
|
3
|
|
|
gibberellin A25
|
362.40
|
2.4
|
3
|
6
|
111.9
|
3
|
|
|
GA44;Gibberellin 44
|
346.40
|
1.6
|
2
|
5
|
83.83
|
1
|
|
|
Sativoside B1
|
1423.50
|
-6
|
22
|
35
|
565.05
|
22
|
|
|
Protodegalactotigonin
|
1215.30
|
-3
|
17
|
28
|
445.44
|
18
|
|
|
Sativoside R 1
|
1377.50
|
-4.6
|
20
|
33
|
524.59
|
21
|
|
|
(3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside
|
1245.40
|
-3.8
|
17
|
29
|
454.67
|
19
|
|
|
(2R,4S)-2-[(2R)-3,3-dimethyloxiran-2-yl]-4-ethenyl-2-hydroxy-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one
|
342.40
|
3.1
|
1
|
5
|
72.2
|
2
|
|
|
[5-[(E)-4-(furan-2-yl)but-3-en-1-ynyl]thiophen-2-yl]methyl acetate
|
272.30
|
3.1
|
0
|
4
|
67.68
|
5
|
|
|
[5-[(Z)-4-(furan-2-yl)but-3-en-1-ynyl]thiophen-2-yl]methyl acetate
|
272.30
|
3.1
|
0
|
4
|
67.68
|
5
|
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