CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 212.2 Ų [M]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 422.6 g/mol |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 422.32837130 g/mol |
| Monoisotopic Mass | 422.32837130 g/mol |
| Topological Polar Surface Area | 60.6 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 1 |
| Complexity | 700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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
Agelasine D is a natural product found in Agelas nakamurai with data available.