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Chemical structure of Cyanidin 3-sophoroside chloride

GC75119

Cyanidin 3-sophoroside chloride

Also known as (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride

Cyanidin 3-sophoroside chloride is a potent non-competitive reversible polyphenol oxidase (PPO) inhibitor

ChemicalCAS18376-31-3MW646.98FormulaC27H31ClO16
CAS number
18376-31-3
Molecular weight
646.98
Formula
C27H31ClO16
InChIKey
SGNFWBVNFUISGD-VENVAYKGSA-N
Catalogue number
GC75119
Brand
GLPBIO
Computed properties PubChem CID 14779570 · TPSA 260 Ų · H-bond donors 11 · H-bond acceptors 16
TPSA
260 Ų
H-bond donors
11
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
44

SMILES C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O.[Cl-]

Computed descriptors from PubChem (CID 14779570), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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