Quercetin 3-(6''-acetylgalactoside)-7-rhamnoside
Basic information
- CAS
124027-51-6- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
QBFLREGYLMFMCL-DAYMEKKUSA-N- Molecular formula
- C29H32O17
- Average molar mass
- 652.6 g/mol
- Monoisotopic mass
- 652.16394955
Overview
6''-Acetylhyperin 7-O-rhamnopyranoside has been reported in Vicia faba with data available.
Names & identifiers
- Preferred name
- Quercetin 3-(6''-acetylgalactoside)-7-rhamnoside
- IUPAC
- [(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Names & synonyms
Quercetin 3-(6''-acetylgalactoside)-7-rhamnosideDTXSID801102251LMPK12112080Quercetin 3-(6''-acetyl-galactoside) 7-rhamnoside3-[(6-O-Acetyl-I(2)-D-galactopyranosyl)oxy]-7-[(6-deoxy-I+/--L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
Database identifiers
- CAS
124027-51-6- PubChem CID
- 102470786
- DTXSID
DTXSID801102251- Nikkaji
- J2.434.937C
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 272 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,130
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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