Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C26H30O12
- Molecular weight
- 534.5 g/mol
- IUPAC name
- 3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- SMILES
- CC(C)(CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- InChIKey
- UNHHWEHQUUGKEE-MLLLWRCASA-N
- XLogP
- 1.3
- Polar surface area
- 207 Ų
- H-bond donors
- 8
- H-bond acceptors
- 12
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 534.1737264
Show 4 more facts
- chemical formula
- C₂₆H₃₀O₁₂
- canonical SMILES
- CC(C)(CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
- different from
- amurensine
- isomeric SMILES
- CC(C)(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12
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