1-Propanone,1-[2-(b-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-,dihydrate


Chemical Name: 1-Propanone,1-[2-(b-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-,dihydrate
CAS Number: 7061-54-3
Product Number: AG00IC31(AGN-PC-0TYE8N)
Synonyms:
MDL No:
Molecular Formula: C21H28O12
Molecular Weight: 472.4398

Identification/Properties


Computed Properties
Molecular Weight:
472.443g/mol
Hydrogen Bond Donor Count:
9
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
7
Exact Mass:
472.158g/mol
Monoisotopic Mass:
472.158g/mol
Topological Polar Surface Area:
179A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
581
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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