Quercetin 3-glucuronide-7-glucoside
Basic information
- Standard SMILES
O=C(O)C1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O- InChIKey
FZJHCRDUXLHHKI-XGMJDTBLSA-N- Molecular formula
- C27H28O18
- Average molar mass
- 640.5 g/mol
- Monoisotopic mass
- 640.12756404
Overview
Quercetin 3-glucuronide-7-glucoside has been reported in Euphorbia exigua with data available.
Names & identifiers
- Preferred name
- Quercetin 3-glucuronide-7-glucoside
- IUPAC
- (3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
Quercetin 3-glucuronide-7-glucosideSCHEMBL29649086DTXSID901383903
Database identifiers
- PubChem CID
- 44259245
- DTXSID
DTXSID901383903
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 303 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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