Quercetin 3-O-acetyl-rhamnoside
Basic information
- Standard SMILES
CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@@H](C)[C@H](O)[C@H]1O- InChIKey
QYSPPPJDISHVRH-ZKLNTULWSA-N- Molecular formula
- C23H22O12
- Average molar mass
- 490.4 g/mol
- Monoisotopic mass
- 490.11112613
Overview
Quercetin 3-O-acetyl-rhamnoside has been reported in Vitis aestivalis, Vitis vinifera, and other organisms with data available.
Names & identifiers
- Preferred name
- Quercetin 3-O-acetyl-rhamnoside
- IUPAC
- [(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] acetate
Names & synonyms
Quercetin 3-O-acetyl-rhamnoside[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] acetate((2S,3R,4R,5R,6S)-2-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl)oxy-4,5-dihydroxy-6-methyloxan-3-yl) acetateRefChem:378336Quercitryl-2'' acetateQuercetin 3-(2''-acetylrhamnoside)DTXSID001341594LMPK12112257
Database identifiers
- PubChem CID
- 6324952
- DTXSID
DTXSID001341594- Nikkaji
- J1.165.152F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 844
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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