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ligustroflavone

CAS No.:
260413-62-5
Catalog Number:
AG00C4GW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C4GW
Chemical Name:
ligustroflavone
CAS Number:
260413-62-5
MDL Number:
MFCD22125004
IUPAC Name:
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C33H40O18/c1-11-22(37)25(40)28(43)31(46-11)45-10-20-24(39)27(42)30(51-32-29(44)26(41)23(38)12(2)47-32)33(50-20)48-15-7-16(35)21-17(36)9-18(49-19(21)8-15)13-3-5-14(34)6-4-13/h3-9,11-12,20,22-35,37-44H,10H2,1-2H3/t11-,12-,20+,22-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33+/m0/s1
InChI Key:
NULBHTHMVOCGOE-ZBCCAYPVSA-N
Properties
Complexity:
1210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
15  
Defined Bond Stereocenter Count:
0
Exact Mass:
724.221g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
724.665g/mol
Monoisotopic Mass:
724.221g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
284A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9  
Literature
Title Journal
A neuroprotective mechanism of YGY-E in cerebral ischemic injury in rats. CNS neuroscience & therapeutics 20120101
Properties