aspalathin

Aspalathin is a C-linked dihydrochalcone glucoside found in rooibos tea, a herbal tea prepared from the South African rooibos plant, Aspalathus linearis (Fabaceae).

Chemical data

Formula: C21H24O11
Molecular weight: 452.4 g/mol
IUPAC name: 3-(3,4-dihydroxyphenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one
SMILES: C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChIKey: VCPUQYKWJRESOC-VJXVFPJBSA-N
XLogP: -0.2
Polar surface area: 208 Å²
H-bond donors: 9
H-bond acceptors: 11
Formal charge: 0

via PubChem

Wikidata facts

Mass: 436.1369469679998

Show 5 more facts

Commons category: Aspalathin
isomeric SMILES: c1cc(c(cc1CCC(=O)c2cc(c(cc2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
chemical formula: C₂₁H₂₄O₁₀
found in taxon: Aspalathus linearis
canonical SMILES: O=C(C1=C(O)C=C(O)C(=C1O)C2OC(CO)C(O)C(O)C2O)CCC3=CC=C(O)C(O)=C3

Sources (2)

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Encyclopedic overview

2 sections

Contents

References
External links

{{chembox | Verifiedfields = changed | Watchedfields = changed | verifiedrevid = 460335745 | ImageFile = Aspalathin structure.svg | ImageSize = 300px | IUPACName = 3-(3,4-Dihydroxyphenyl)-1-[5-(β-D-glucopyranosyl)-2,4-dihydroxyphenyl]propan-1-one | SystematicName = 3-(3,4-Dihydroxyphenyl)-1-{2,4-dihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one | OtherNames = |Section1= |Section2= |Section3= }}

Aspalathin is a C-linked dihydrochalcone glucoside found in rooibos tea, a herbal tea prepared from the South African rooibos plant, Aspalathus linearis (Fabaceae).

Excerpted from Wikipedia’s “aspalathin” article, available under the CC BY-SA 4.0 licence.