COMPUTED DESCRIPTORS
| Molecular Weight | 567.6 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 567.21044625 g/mol |
| Monoisotopic Mass | 567.21044625 g/mol |
| Topological Polar Surface Area | 208 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1190 |
| 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
(4aS,5S,12aS)-6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,4,4a,5,12,12a-hexahydro-3,4a,5,10,11,12a-hexahydroxy-8-methoxy-1,12-dioxo-2-naphthacenecarboxamide is a natural product found in Penicillium aethiopicum with data available.