COMPUTED DESCRIPTORS
| Molecular Weight | 658.6 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 12 |
| Exact Mass | 658.15338487 g/mol |
| Monoisotopic Mass | 658.15338487 g/mol |
| Topological Polar Surface Area | 234 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1250 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-[[6-methoxy-2-oxo-3-[(2-oxo-1-benzopyran-7-yl)oxy]-1-benzopyran-7-yl]oxy]-2-oxanyl]methoxy]pentanoic acid is a glycoside and a member of coumarins.