114420-67-6
Product Name:
BRUSATOL
Formula:
C20H26O11
Synonyms:
(+)-Brusatol;(11β,12α,15β)-13,20-Epoxy-3,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2,16-dioxo-picras-3-en-21-oic acid methyl ester;Brutasol;NSC 172924;Yatansin
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 442.4 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 11 |
| Exact Mass | 442.14751164 g/mol |
| Monoisotopic Mass | 442.14751164 g/mol |
| Topological Polar Surface Area | 172 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 602 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Regaloside B is a natural product found in Lilium auratum and Lilium brownii with data available.