CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 2757 2757 2757 |
---|
COMPUTED DESCRIPTORS
Molecular Weight | 328.4 g/mol |
---|---|
XLogP3 | 3.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Exact Mass | 328.13107373 g/mol |
Monoisotopic Mass | 328.13107373 g/mol |
Topological Polar Surface Area | 61.8 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 589 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
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
Decursinol angelate is a natural product found in Angelica glauca and Angelica gigas with data available.