COMPUTED DESCRIPTORS
| Molecular Weight | 406.5 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 406.19915329 g/mol |
| Monoisotopic Mass | 406.19915329 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 820 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(9,10,18-Trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl) acetate is a natural product found in Isodon macrophyllus with data available.