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Chemical structure of Cyanidin 3-sambubioside

GC64348

Cyanidin 3-sambubioside

Also listed as Cyanidin 3-sambubioside chloride

Cyanidin 3-sambubioside chloride (Cyanidin-3-O-sambubioside chloride), a major anthocyanin, a natural colorant, and is a potent NO inhibitor

ChemicalCAS33012-73-6MW616.95FormulaC26H29ClO15
CAS number
33012-73-6
Molecular weight
616.95
Formula
C26H29ClO15
InChIKey
BWHXEGJOYVNGQH-XOBUMVIESA-N
Catalogue number
GC64348
Brand
GLPBIO
Computed properties PubChem CID 3084569 · TPSA 240 Ų · H-bond donors 10 · H-bond acceptors 15
TPSA
240 Ų
H-bond donors
10
H-bond acceptors
15
Rotatable bonds
6
Heavy atoms
42

SMILES C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O.[Cl-]

Computed descriptors from PubChem (CID 3084569), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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