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17306-46-6

17306-46-6 structural image
Product Name: RHOIFOLIN
Formula: C27H30O14
Synonyms: Apigenin 7-O-neohesperidoside;Rhoifolin;Rhoifoloside
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 231.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 578.5 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 6
Exact Mass 578.16355563 g/mol
Monoisotopic Mass 578.16355563 g/mol
Topological Polar Surface Area 225 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 939
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Apigenin 7-O-neohesperidoside is an apigenin derivative having an alpha-(1->2)-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group. It has a role as a metabolite. It is a neohesperidoside, a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to an apigenin.