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63139-16-2

63139-16-2 structural image
Product Name: Withanolides
Formula: C28H40O8
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COMPUTED DESCRIPTORS

Molecular Weight 504.6 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 2
Exact Mass 504.27231823 g/mol
Monoisotopic Mass 504.27231823 g/mol
Topological Polar Surface Area 145 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 1080
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 10
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ergostane derivatives of 28 carbons with oxygens at C1, C22, and C26 positions and the side chain cyclized. They are found in WITHANIA plant genus and have cytotoxic and other effects.