COMPUTED DESCRIPTORS
Molecular Weight | 224.25 g/mol |
---|---|
XLogP3 | 0.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 224.10485899 g/mol |
Monoisotopic Mass | 224.10485899 g/mol |
Topological Polar Surface Area | 66.8 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 367 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
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
1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7R)-rel- is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available.