COMPUTED DESCRIPTORS
Molecular Weight | 530.7 g/mol |
---|---|
XLogP3 | 4.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Exact Mass | 530.36073931 g/mol |
Monoisotopic Mass | 530.36073931 g/mol |
Topological Polar Surface Area | 93.1 Ų |
Heavy Atom Count | 38 |
Formal Charge | 0 |
Complexity | 1060 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 10 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
[2-Hydroxy-1-(12-hydroxy-1,2,8,14,18,18-hexamethyl-17-oxo-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-6-yl)-2-methylpropyl] acetate is a natural product found in Phellodendron amurense with data available.