25514-30-1
Product Name:
Picras-3-en-21-oic acid, 13, 20-epoxy-3,11,12-trihydroxy-15-[ (4-hydro xy-3, 4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11. beta.,12.alpha.,15.beta.(E)]-
Formula:
C28H36O12
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 564.6 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 564.22067658 g/mol |
| Monoisotopic Mass | 564.22067658 g/mol |
| Topological Polar Surface Area | 186 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1250 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Bruceine C is a natural product found in Brucea javanica with data available.