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Home / Natural products / Delphinidin 3-sambubioside
Anthocyanins

Delphinidin 3-sambubioside

飞燕草素-3-O-桑布双糖苷氯化物

PHY-NP-13976 · Natural product research catalog

Catalog numberPHY-NP-13976
CAS number53158-73-9
Molecular formulaC26H29O16+
Molecular weight597.502 g/mol
Chemical classAnthocyanins
Main reported sourceVaccinium padifolium
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Delphinidin 3-sambubioside

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Product information

Delphinidin 3-sambubioside is listed in the Anthocyanins section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name(2S,3R,4S,5R)-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]oxyoxane-3,4,5-triol
SMILESC1[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)O)CO)O)O)O)O)O
InChIKeyTWYYVOVDSNRIJM-AFAGGVQESA-O
Subclass / scaffoldAnthocyanidins
PubChem CID10196837

Computed properties

Exact mass (Da)597.145Predicted LogP-1.4491
Predicted TPSA (Ų)270.75H-bond donors11
H-bond acceptors15Rotatable bonds6

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count5
Aromatic rings3
Fraction Csp³0.423
Synthetic accessibility score5.01
QED score0.115
Lipinski rule violations3
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classAnthocyanidins
Parent SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Parent formulaC26H29O16+
Parent molecular weight597.502
Specified stereocenters9
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceVaccinium padifolium
Reported source familiesEricaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesVaccinium padifolium[1]
All reported source familiesEricaceae[1]
LOTUS species records1
LOTUS reference records1
COCONUT occurrence recordsHibiscus sabdariffa; Terminalia ferdinandiana; Vaccinium padifolium
COCONUT organism records3
COCONUT identifierCNP0512925.4

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.

From the same chemical class; matching subclass / scaffold shown first. These suggestions are not a calculated structure-similarity assessment.

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