989-54-8
Product Name:
2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one
Formula:
C25H32O8
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 460.5 g/mol |
---|---|
XLogP3 | 4.1 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 9 |
Exact Mass | 460.20971797 g/mol |
Monoisotopic Mass | 460.20971797 g/mol |
Topological Polar Surface Area | 141 Ų |
Heavy Atom Count | 33 |
Formal Charge | 0 |
Complexity | 853 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
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
p-Aspidin is a natural product found in Dryopteris aitoniana with data available.