COMPUTED DESCRIPTORS
| Molecular Weight | 1044.9 g/mol |
|---|---|
| XLogP3 | -5.1 |
| Hydrogen Bond Donor Count | 19 |
| Hydrogen Bond Acceptor Count | 26 |
| Rotatable Bond Count | 14 |
| Exact Mass | 1044.27468176 g/mol |
| Monoisotopic Mass | 1044.27468176 g/mol |
| Topological Polar Surface Area | 480 Ų |
| Heavy Atom Count | 74 |
| Formal Charge | 0 |
| Complexity | 2360 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 15 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4(2H)-Benzofuranone, 7-beta-D-glucopyranosyl-3-[3-beta-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]-3,7-dihydro-6,7-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-, (2S,3S)- is a natural product found in Carthamus tinctorius with data available.