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23013-84-5

23013-84-5 structural image
Product Name: neoglycyrol
Formula: C21H18O6
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 243.5 - 245 °C

COMPUTED DESCRIPTORS

Molecular Weight 366.4 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 366.11033829 g/mol
Monoisotopic Mass 366.11033829 g/mol
Topological Polar Surface Area 89.1 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 600
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Glycyrol is a member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 1 and 9, a methoxy group at position 3 and a prenyl group at position 2 respectively. It has a role as a plant metabolite and an antineoplastic agent. It is a member of coumestans, a polyphenol, a delta-lactone and an aromatic ether. It is functionally related to a coumestan.