Astilbin

Chemical Information
Astilbin is a flavanone glycoside that is (+)-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. It has a role as a radical scavenger, an anti-inflammatory agent and a plant metabolite. It is a member of 4'-hydroxyflavanones, an alpha-L-rhamnoside, a tetrahydroxyflavanone, a member of 3'-hydroxyflavanones, a monosaccharide derivative and a flavanone glycoside. It is functionally related to a (+)-taxifolin. It is an enantiomer of a neoastilbin.
| CAS Number | 29838-67-3 |
| PubChem CID | 119258 |
| IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Molecular Formula | C21H22O11 |
| Molecular Weight | 450.4 |
| XLogP | 0.4 |
| Topological Polar Surface Area | 186 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 676 |
| Property | Value |
|---|---|
| Molecular Weight | 450.4 |
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 3 |
| Exact Mass | 450.11621151 |
| Monoisotopic Mass | 450.11621151 |
| Topological Polar Surface Area | 186 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 676 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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