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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(S)-(+)-Curcumene
|
174.28
|
4.5
|
0
|
0
|
0
|
4
|
|
|
(9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
|
260.28
|
0.3
|
1
|
4
|
63.6
|
1
|
|
|
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
414.40
|
1.1
|
5
|
9
|
157.66
|
2
|
|
|
Isoswertisin 4'-rhamnoside
|
592.50
|
-0.8
|
8
|
14
|
228.97
|
6
|
|
|
6-[(2R,3S,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
430.40
|
0.8
|
6
|
10
|
177.89
|
2
|
|
|
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
|
444.40
|
1.1
|
5
|
10
|
166.89
|
3
|
|
|
Cyanidin 3-O-(2-xylosyl-6'-glucosyl-galactoside)'
|
743.60
|
|
13
|
19
|
329.67
|
10
|
|
|
Apigeninidin 5-(5''-caffeylarabinoside)
|
549.50
|
|
6
|
10
|
177.44
|
8
|
|
|
Cyanidin 3-O-(2'-xylosyl-6'-(6''-p-hydroxybenzoyl-glucosyl)-galactoside)
|
863.70
|
|
13
|
21
|
355.97
|
13
|
|
|
Cyanidin 3-(6''-caffeylsophoroside) 5-glucoside
|
935.80
|
|
15
|
23
|
396.43
|
14
|
|
|
Cyanidin 3-(6'',6'''-dicaffeylsophoroside) 5-glucoside
|
1097.90
|
|
16
|
26
|
442.96
|
18
|
|
|
Cyanidin 3-(6''-caffeyl-6'''-ferulylsophoroside) 5-glucoside
|
1112.00
|
|
15
|
26
|
431.96
|
19
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl acetate
|
667.60
|
|
9
|
16
|
265.82
|
10
|
|
|
Peonidin 3-feruloyl-diglucoside 5-glucoside
|
963.90
|
|
13
|
23
|
374.43
|
16
|
|
|
Peonidin 3-caffeoyl-rutinoside 5-glucoside
|
933.80
|
|
13
|
22
|
365.2
|
14
|
|
|
3-[[(2R,3S,4R,5R,6S)-3-(2-carboxyacetyl)oxy-4,5-dihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
945.80
|
|
12
|
24
|
404.02
|
19
|
|
|
Petunidin 3-(4'''-p-coumaroyl-rutinoside)
|
771.70
|
|
10
|
17
|
286.05
|
11
|
|
|
Malvidin 3-(6''-p-coumarylglucoside) 5-dimalonylglucoside
|
973.80
|
|
10
|
24
|
382.02
|
21
|
|
|
2-Hydroxyethyl glucosinolate
|
363.40
|
-2.6
|
6
|
12
|
220.02
|
7
|
|
|
4-Methylsulfonyl-3-butenyl glucosinolate
|
451.50
|
-1.9
|
5
|
13
|
242.31
|
9
|
|
|
5-Oxoheptyl glucosinolate
|
433.50
|
-0.7
|
7
|
13
|
214.8
|
11
|
|
|
Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin
|
898.80
|
2.6
|
17
|
20
|
371.6
|
5
|
|
|
Epicatechin-(4beta->6)-catechin 3-gallate
|
730.60
|
3.5
|
12
|
16
|
287.52
|
6
|
|
|
ent-Epiafzelechin-(2alpha->7,4alpha->8)-catechin
|
560.50
|
2.7
|
8
|
11
|
189.53
|
2
|
|
|
Epicatechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin-(4beta->6)-catechin
|
1153.00
|
4.3
|
19
|
24
|
430.52
|
6
|
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