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3261-53-8

3261-53-8 structural image
Product Name: gitaloxin
Formula: C42H64O15
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COMPUTED DESCRIPTORS

Molecular Weight 808.9 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 9
Exact Mass 808.42452133 g/mol
Monoisotopic Mass 808.42452133 g/mol
Topological Polar Surface Area 209 Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1510
Isotope Atom Count 0
Defined Atom Stereocenter Count 21
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

Gitaloxin is a cardenolide glycoside that is gitoxin in which the 16beta-hydroxy group has been formylated. It has a role as a metabolite. It is functionally related to a gitoxin.