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116122-36-2

116122-36-2 structural image
Product Name: BREVISCAPIN
Formula: C21H18O11.C21H18O12
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COMPUTED DESCRIPTORS

Molecular Weight 462.4 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 4
Exact Mass 462.07982601 g/mol
Monoisotopic Mass 462.07982601 g/mol
Topological Polar Surface Area 203 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 777
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 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Scutellarin is the glycosyloxyflavone which is the 7-O-glucuronide of scutellarein. It has a role as an antineoplastic agent and a proteasome inhibitor. It is a glycosyloxyflavone, a glucosiduronic acid, a trihydroxyflavone and a monosaccharide derivative. It is functionally related to a scutellarein. It is a conjugate acid of a scutellarin(1-).