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Home Other Building Blocks 6''-O-MALONYLDAIDZIN

6''-O-MALONYLDAIDZIN

CAS No.:
124590-31-4
Catalog Number:
AG009G1L
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009G1L
Chemical Name:
6''-O-MALONYLDAIDZIN
CAS Number:
124590-31-4
MDL Number:
MFCD02684044
IUPAC Name:
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
InChI:
InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1
InChI Key:
MTXMHWSVSZKYBT-ASDZUOGYSA-N
UNII:
54CE6OWE7A
Properties
Complexity:
850  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
502.111g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
502.428g/mol
Monoisotopic Mass:
502.111g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Kinetic modeling of malonylgenistin and malonyldaidzin conversions under alkaline conditions and elevated temperatures. Journal of agricultural and food chemistry 20070502
Characterisation of soy isoflavones and screening for novel malonyl glycosides using high-performance liquid chromatography-electrospray ionisation-mass spectrometry. Phytochemical analysis : PCA 20010101
Properties