Hydroxysafflor yellow A (Standard)

Chemical Information
Hydroxysafflor yellow A is a C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius). It has a role as an antioxidant, an antineoplastic agent, a radical scavenger, a platelet aggregation inhibitor, a neuroprotective agent, an anti-inflammatory agent, an EC 3.2.1.48 (sucrose alpha-glucosidase) inhibitor and a plant metabolite. It is a C-glycosyl compound, an enol, a member of phenols and an enone.
| CAS Number | 78281-02-4 |
| PubChem CID | 6443665 |
| IUPAC Name | (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione |
| Molecular Formula | C27H32O16 |
| Molecular Weight | 612.5 |
| XLogP | -3.5 |
| Topological Polar Surface Area | 295 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1160 |
| Property | Value |
|---|---|
| Molecular Weight | 612.5 |
| XLogP3 | -3.5 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 6 |
| Exact Mass | 612.16903493 |
| Monoisotopic Mass | 612.16903493 |
| Topological Polar Surface Area | 295 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1160 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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