COMPUTED DESCRIPTORS
| Molecular Weight | 522.5 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Exact Mass | 522.13734088 g/mol |
| Monoisotopic Mass | 522.13734088 g/mol |
| Topological Polar Surface Area | 194 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 836 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Centaurein is a natural product found in Centaurea bracteata, Centaurea corcubionensis, and other organisms with data available.