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Chemical structure of Cyanidin 3-sophoroside-5-glucoside

GC71964

Cyanidin 3-sophoroside-5-glucoside

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

Cyanidin 3-sophoroside-5-glucoside is the main anthocyanin in purple-fleshed sweet potato and affects the antioxidant activity of purple-fleshed sweet potato

ChemicalCAS16727-02-9MW809.12FormulaC33H41ClO21
CAS number
16727-02-9
Molecular weight
809.12
Formula
C33H41ClO21
InChIKey
KUIBYMKXRAGBBM-OOGSEBJWSA-N
Catalogue number
GC71964
Brand
GLPBIO
Computed properties PubChem CID 131849400 · TPSA 340 Ų · H-bond donors 14 · H-bond acceptors 21
TPSA
340 Ų
H-bond donors
14
H-bond acceptors
21
Rotatable bonds
10
Heavy atoms
55

SMILES C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O.[Cl-]

Computed descriptors from PubChem (CID 131849400), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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