COMPUTED DESCRIPTORS
| Molecular Weight | 334.5 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 334.16026586 g/mol |
| Monoisotopic Mass | 334.16026586 g/mol |
| Topological Polar Surface Area | 68.7 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 575 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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
S-Petasin is a natural product found in Petasites pyrenaicus, Petasites japonicus, and other organisms with data available.