54141-72-9
Product Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-oxa n-2-yl)oxy-chroman-4-one
Formula:
C21H22O11
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 450.4 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 3 |
| Exact Mass | 450.11621151 g/mol |
| Monoisotopic Mass | 450.11621151 g/mol |
| Topological Polar Surface Area | 186 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 676 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isoastilbin is a natural product found in Smilax china and Smilax glabra with data available.