CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 171.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 328.3 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 328.09468823 g/mol |
| Monoisotopic Mass | 328.09468823 g/mol |
| Topological Polar Surface Area | 74.2 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 482 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Isotectorigenin, 7-methyl ether is a natural product found in Peperomia humilis and Peperomia leptostachya with data available.