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Chemical structure of Cornoside
Phenylethanoids

Cornoside

4-[2-(BETA-D-吡喃葡萄糖基氧基)乙基]-4-羟基-2,5-环己二烯-1-酮

PHY-NP-14907 · Natural product research catalog

Catalog numberPHY-NP-14907
CAS number40661-45-8
Molecular formulaC14H20O8
Molecular weight316.306 g/mol
Chemical classPhenylethanoids
Purity / assayConfirmed in quotation and batch COA

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Product information

Cornoside is listed in the Phenylethanoids 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 name4-hydroxy-4-[2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexa-2,5-dien-1-one
SMILESC1=CC(C=CC1=O)(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChIKeyVTVARPTUBCBNJX-UJPOAAIJSA-N
Subclass / scaffoldPhenylethanoids
PubChem CID3084796

Computed properties & structure classification

Exact mass (Da)316.1158Predicted LogP-2.3808
Predicted TPSA (Ų)136.68H-bond donors5
H-bond acceptors8Rotatable bonds5
Ring count2Aromatic rings0
Fraction Csp³0.643Synthetic accessibility score4.27
QED score0.379Lipinski rule violations0
NPClassifier pathwayShikimates and PhenylpropanoidsNPClassifier superclassPhenylethanoids (C6-C2)
NPClassifier classPhenylethanoidsParent SMILESO=C1C=CC(O)(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1
Parent formulaC14H20O8Parent molecular weight316.306
Specified stereocenters5Unspecified stereocenters0

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

Reported natural occurrence

Main reported sourceOlea europaea
LOTUS / Wikidata speciesOlea europaea(油橄榄)[3];Abeliophyllum distichum(朝鲜白连翘)[2];Forsythia suspensa(连翘)[2];Digitalis lanata(长叶洋地黄)[1];Eurya japonica(柃木)[1];Forsythia europaea[1];Forsythia koreana(朝鲜连翘)[1];Forsythia viridissima(金钟花)[1];Millingtonia hortensis(老鸦烟筒花)[1];Parahancornia fasciculata[1];Phyla nodiflora(过江藤)[1];Polypremum procumbens[1];Tecoma capensis(硬骨凌霄)[1];Tetrachondra hamiltonii[1]
Source familiesOleaceae[6];Bignoniaceae[2];Tetrachondraceae[2];Plantaginaceae[1];Theaceae[1];Apocynaceae[1]
LOTUS species records14
LOTUS reference records14
COCONUT occurrence recordsAbeliophyllum distichum;Abeliophyllum distichum Nakai;Achillea serbica;Alluaudia ascendens;Anabaena sphaerica;Centaurea collina;Digitalis lanata;Digitalis purpurea;Digitalis thapsi;Echinocereus blanckii;Euonymus nanus;Eurya japonica;Forsythia europaea;Forsythia europaea Degen & Baldacci;Forsythia koreana;Forsythia koreana (Rehd.) Nakai;Forsythia suspensa;Forsythia suspensa (Thunb.) Vahl.;Forsythia viridissima;Fusarium vasinfectum;Isoplexis chalcantha;Isoplexis sceptrum;Jaspis digonoxea;Kitasatospora kifunensis;Millingtonia hortensis;Olea europaea;Olea europaea L.;Parahancornia fasciculata;Phyla nodiflora;Physostigma venenosum;…
COCONUT organism records36
COCONUT identifierCNP0290327.1

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
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