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25633-33-4

25633-33-4 structural image
Product Name: cerberin
Formula: C32H48O9
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COMPUTED DESCRIPTORS

Molecular Weight 576.7 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 576.32983310 g/mol
Monoisotopic Mass 576.32983310 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 1080
Isotope Atom Count 0
Defined Atom Stereocenter Count 13
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

Cerberin is a cardenolide glycoside that is the 2'-acetyl derivative of neriifolin. It has a role as an antineoplastic agent and a metabolite. It is a cardenolide glycoside, a monosaccharide derivative and an acetate ester. It is functionally related to a neriifolin.