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244202-36-6

244202-36-6 structural image
Product Name: AneMoside E-2
Formula: C53H86O21
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COMPUTED DESCRIPTORS

Molecular Weight 1059.2 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 12
Hydrogen Bond Acceptor Count 21
Rotatable Bond Count 11
Exact Mass 1058.56615975 g/mol
Monoisotopic Mass 1058.56615975 g/mol
Topological Polar Surface Area 334 Ų
Heavy Atom Count 74
Formal Charge 0
Complexity 2040
Isotope Atom Count 0
Defined Atom Stereocenter Count 27
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

Oleanolic acid 3-O-[O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->3)-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside] is a triterpenoid saponin that is the tetrasaccharide derivative of oleanolic acid. Isolated from the roots of Pulsatilla chinensis, it exhibits antineoplastic activity. It has a role as an antineoplastic agent and a plant metabolite. It is a pentacyclic triterpenoid, a tetrasaccharide derivative and a triterpenoid saponin. It is functionally related to an oleanolic acid. It derives from a hydride of an oleanane.