Structure via PubChem · Public domain (PubChem)
deacetylasperulosidic acid
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Chemical data
- Formula
- C16H22O11
- Molecular weight
- 390.34 g/mol
- IUPAC name
- 5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
- SMILES
- C1=C(C2C(C1O)C(=COC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
- InChIKey
- ZVXWFPTVHBWJOU-YTUZZOLGSA-N
- XLogP
- -3.8
- Polar surface area
- 186 Ų
- H-bond donors
- 7
- H-bond acceptors
- 11
- Formal charge
- 0
via PubChem
Wikidata facts
- Has part
- hydrogen
- Mass
- 390.11621152399994
Show 3 more facts
- canonical SMILES
- O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(O)C12
- chemical formula
- C₁₈H₂₄O₁₂
- isomeric SMILES
- O=C(O)C1=CO[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]3([H])[C@]1([H])[C@@H](O)C=C3CO
Sources (1)
via Wikidata · CC0