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Anthocyanins

Pelargonidin 3-galactoside

花葵素

PHY-NP-14000 · Natural product research catalog

Catalog numberPHY-NP-14000
CAS number34425-22-4
Molecular formulaC21H21ClO10
Molecular weight468.842 g/mol
Chemical classAnthocyanins
Main reported sourceMalvaviscus arboreus
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Pelargonidin 3-galactoside

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50 mgRequest quoteTo be confirmedConfirm in quotation
100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

Pelargonidin 3-galactoside 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,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
SMILESC1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O.[Cl-]
InChIKeyCAHGSEFWVUVGGL-QSLGVYCOSA-N
Subclass / scaffoldAnthocyanidins
PubChem CID16218556

Computed properties

Exact mass (Da)468.0823Predicted LogP0.6764
Predicted TPSA (Ų)171.37H-bond donors7
H-bond acceptors9Rotatable bonds4

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

View additional properties & classification
Ring count4
Aromatic rings3
Fraction Csp³0.286
Synthetic accessibility score4.14
QED score0.29
Lipinski rule violations1
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classAnthocyanidins
Parent SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O
Parent formulaC21H21O10+
Parent molecular weight433.389
Specified stereocenters5
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceMalvaviscus arboreus
Reported source familiesEricaceae; Malvaceae

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

View occurrence records & references
LOTUS / Wikidata speciesMalvaviscus arboreus[1]; Vaccinium japonicum[1]; Vaccinium macrocarpon[1]; bog bilberry[1]
All reported source familiesEricaceae[3]; Malvaceae[1]
LOTUS species records4
LOTUS reference records4
COCONUT occurrence recordsCallistephus chinensis; Chaenomeles speciosa; Cornus mas; Cotoneaster spp.; Fagus sylvatica; Fragaria spp.; Lathyrus odoratus; Lavatera arborea; Malvaviscus arboreus; Sterculia parviflora; Vaccinium japonicum; Vaccinium macrocarpon; Vaccinium spp.; bog bilberry
COCONUT organism records14
COCONUT identifierCNP0525096.3

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.