95258-13-2
Product Name:
(+)-13,20-Epoxy-1β,6α,11β,12α,14,15β,21-heptahydroxypicrasa-3-ene-2,16-dione
Formula:
C20H26O11
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 442.4 g/mol |
|---|---|
| XLogP3 | -3.9 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 1 |
| Exact Mass | 442.14751164 g/mol |
| Monoisotopic Mass | 442.14751164 g/mol |
| Topological Polar Surface Area | 194 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 904 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| 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
Yadanziolide B is a quassinoid that is 13,20-epoxypicras-3-ene substituted by hydroxy groups at positions 1, 6, 11, 12, 14, 15 and 21 and oxo groups at positions 2 and 16. Isolated from the ethanol extract of the stem of Brucea mollis, it exhibits cytotoxic activity. It has a role as an antineoplastic agent and a plant metabolite. It is a quassinoid, a delta-lactone, an enone, an organic heteropentacyclic compound, a heptol and a secondary alpha-hydroxy ketone. It derives from a hydride of a picrasane.