COMPUTED DESCRIPTORS
| Molecular Weight | 492.4 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 492.12677620 g/mol |
| Monoisotopic Mass | 492.12677620 g/mol |
| Topological Polar Surface Area | 185 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 776 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Iris milesii, Iris tectorum, and Iris domestica with data available.