COMPUTED DESCRIPTORS
Molecular Weight | 519.6 g/mol |
---|---|
XLogP3 | 1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Exact Mass | 519.24816917 g/mol |
Monoisotopic Mass | 519.24816917 g/mol |
Topological Polar Surface Area | 118 Ų |
Heavy Atom Count | 38 |
Formal Charge | 0 |
Complexity | 1100 |
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
Ergotoxine is a natural product found in Claviceps purpurea with data available.