Delphinidin 3-rhamnoglucoside chloride

HCID 207348

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Basic information

CAS: 29732-48-7
Standard SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.[Cl-]
InChIKey: CLRKHYOLBAUFIF-MOIZHYHLSA-N
Molecular formula: C27H31ClO16
Average molar mass: 647 g/mol
Monoisotopic mass: 646.1300626

Names & identifiers

Preferred name: Delphinidin 3-rhamnoglucoside chloride
IUPAC: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol chloride

Names & synonyms

Delphinidin 3-rhamnoglucoside chloride3-((O-(6-Deoxymannosyl)glucosyl)oxy)-3',4',5,5',7-pentahydroxyflavylium chlorideFlavylium, 3-((O-(6-deoxymannosyl)glucosyl)oxy)-3',4',5,5',7-pentahydroxy-, chloride29732-48-7RefChem:336794

Database identifiers

CAS: 29732-48-7
PubChem CID: 207348
DTXSID: DTXSID60952177

Properties

Computed structural properties

Topological polar surface area: 260 Å²
Hydrogen bond donors: 11
Hydrogen bond acceptors: 16
Rotatable bonds: 6
Heavy atoms: 44
Formal charge: 0
Complexity: 902

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