Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C16H22O10
- Molecular weight
- 374.34 g/mol
- IUPAC name
- (1S,4aS,7aS)-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
- C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
- InChIKey
- ZJDOESGVOWAULF-OGJQONSISA-N
- XLogP
- -2.7
- Polar surface area
- 166 Ų
- H-bond donors
- 6
- H-bond acceptors
- 10
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- carboxylic acid
- Mass
- 374.121297
Show 4 more facts
- chemical formula
- C₁₆H₂₂O₁₀
- canonical SMILES
- C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO
- isomeric SMILES
- C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
- Commons category
- Geniposidic acid
via Wikidata · CC0