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Chemical structure of Oleuroside
Iridoids

Oleuroside

橄榄糖苷‌

PHY-NP-07568 · Natural product research catalog

Catalog numberPHY-NP-07568
CAS number116383-31-4
Molecular formulaC25H32O13
Molecular weight540.518 g/mol
Chemical classIridoids
Purity / assayConfirmed in quotation and batch COA

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Product information

Oleuroside is listed in the Iridoids 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 namemethyl (2S,3R,4S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCOC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)OCCC2=CC(=C(C=C2)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChIKeyWWKVQWHAWPZZDB-ASNPJKIBSA-N
Subclass / scaffoldSecoiridoid monoterpenoids
PubChem CID14136852

Computed properties & structure classification

Exact mass (Da)540.1843Predicted LogP-0.7783
Predicted TPSA (Ų)201.67H-bond donors6
H-bond acceptors13Rotatable bonds10
Ring count3Aromatic rings1
Fraction Csp³0.52Synthetic accessibility score4.66
QED score0.123Lipinski rule violations3
NPClassifier pathwayTerpenoidsNPClassifier superclassMonoterpenoids
NPClassifier classSecoiridoid monoterpenoidsParent SMILESC=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1
Parent formulaC25H32O13Parent molecular weight540.518
Specified stereocenters8Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceCyperus sp.
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsCyperus sp.;Olea sp.
COCONUT organism records2
COCONUT identifierCNP0121925.5

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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