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Stilbene glucosides

Rhaponticin

土大黄苷

PHY-NP-02326 · Natural product research catalog

Catalog numberPHY-NP-02326
CAS number155-58-8
Molecular formulaC21H24O9
Molecular weight420.414 g/mol
Chemical classStilbene glucosides
Main reported sourceRheum rhaponticum
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Rhaponticin

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Product information

Rhaponticin is listed in the Stilbene glucosides 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,5S,6R)-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCOC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChIKeyGKAJCVFOJGXVIA-DXKBKAGUSA-N
Subclass / scaffoldMonomeric stilbenes
PubChem CID637213

Computed properties

Exact mass (Da)420.142Predicted LogP0.4555
Predicted TPSA (Ų)149.07H-bond donors6
H-bond acceptors9Rotatable bonds6

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.333
Synthetic accessibility score3.76
QED score0.366
Lipinski rule violations1
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassStilbenoids
NPClassifier classMonomeric stilbenes
Parent SMILESCOc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O
Parent formulaC21H24O9
Parent molecular weight420.414
Specified stereocenters5
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceRheum rhaponticum
Reported source familiesPolygonaceae; Myrtaceae; Fabaceae

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

View occurrence records & references
LOTUS / Wikidata speciesRheum rhaponticum[11]; rhubarb[11]; Rheum undulatum[9]; Rheum palmatum[4]; Eucalyptus rubida[2]; Rheum officinale[2]; Guibourtia tessmannii[1]; Rheum acuminatum[1]; Rheum alexandrae[1]; Rheum altaicum[1]; Rheum australe[1]; Rheum compactum[1]; Rheum delavayi[1]; Rheum emodi[1]; Rheum franzenbachii[1]
All reported source familiesPolygonaceae[32]; Myrtaceae[1]; Fabaceae[1]
Genus / family recordsRheum[2]
LOTUS species records33
LOTUS reference records20
COCONUT occurrence recordsAizopsis selskiana; Albizia myriophylla; Amphorogyne spicata; Anaphalis lactea; Anchusa azurea; Balanophora laxiflora; Benincasa hispida; Bipolaris heveae; Carduus tenuiflorus; Caulerpa peltata; Chaetomium carinthiacum; Chaiturus marrubiastrum; Commelina communis; Dalbergia lanceolaria subsp. paniculata; Degenia velebitica; Delphinium nuttallianum; Delphinium virgatum; Dillenia indica; Dipsacus azureus; Erythrophleum ivorense; Eucalyptus rubida; Eucalyptus sideroxylon; Fallopia multiflora; Gleichenia quadripartita; Grangea maderaspatana; Guibourtia tessmannii; Helichrysum chionosphaerum; Jacquemontia paniculata; Leptocereus quadricostatus; Lespedeza tomentosa
COCONUT organism records90
COCONUT identifierCNP0266810.1

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

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