COMPUTED DESCRIPTORS
Molecular Weight | 470.6 g/mol |
---|---|
XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Exact Mass | 470.26683893 g/mol |
Monoisotopic Mass | 470.26683893 g/mol |
Topological Polar Surface Area | 96.4 Ų |
Heavy Atom Count | 34 |
Formal Charge | 0 |
Complexity | 1030 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 11 |
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
Withanolide D is a withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. It has a role as an antineoplastic agent. It is a withanolide, an enone, a delta-lactone, a secondary alcohol, a tertiary alcohol, a 4-hydroxy steroid, a 20-hydroxy steroid, an ergostanoid and an epoxy steroid.