Peonidin 3-(6''-acetyl-galactoside)

HCID 157009721CAS 75-07-0
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Basic information

Standard SMILES
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)ccc1O
InChIKey
MBSKDCPWFSMEFD-ZKVZURMCSA-O
Molecular formula
C24H25O12+
Average molar mass
505.4 g/mol
Monoisotopic mass
505.13405266

Names & identifiers

Preferred name
Peonidin 3-(6''-acetyl-galactoside)
IUPAC
[(2R,3R,4S,5R)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Names & synonyms

DTXSID701341488Peonidin 3-(6''-acetyl-galactoside)Peonidin 3-O-(6''-acetyl-galactoside)

Database identifiers

CAS
75-07-0
PubChem CID
157009721
DTXSID
DTXSID701341488

Properties

Computed structural properties

Topological polar surface area
176 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
36

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