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Chemical structure of Gardenoside
Iridoids

Gardenoside

羟异栀子苷

PHY-NP-07406 · Natural product research catalog

Catalog numberPHY-NP-07406
CAS number24512-62-7
Molecular formulaC17H24O11
Molecular weight404.368 g/mol
Chemical classIridoids
Purity / assayConfirmed in quotation and batch COA

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Product information

Gardenoside 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 (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
SMILESCOC(=O)C1=CO[C@H]([C@H]2[C@@H]1C=C[C@]2(CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChIKeyXJMPAUZQVRGFRE-AYDWLWLASA-N
Subclass / scaffoldIridoids monoterpenoids
PubChem CID442423

Computed properties & structure classification

Exact mass (Da)404.1319Predicted LogP-3.2583
Predicted TPSA (Ų)175.37H-bond donors6
H-bond acceptors11Rotatable bonds5
Ring count3Aromatic rings0
Fraction Csp³0.706Synthetic accessibility score4.93
QED score0.2Lipinski rule violations2
NPClassifier pathwayTerpenoidsNPClassifier superclassMonoterpenoids
NPClassifier classIridoids monoterpenoidsParent SMILESCOC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]2(O)CO
Parent formulaC17H24O11Parent molecular weight404.368
Specified stereocenters9Unspecified stereocenters0

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

Reported natural occurrence

Main reported sourceGardenia jasminoides
LOTUS / Wikidata speciesGardenia jasminoides(栀子花)[10];Catunaregam nilotica[2];Genipa americana(靛榄)[2];Ridsdalea wittii[2];Allamanda schottii(黄蝉)[1];Catunaregam obovata[1];Catunaregam spinosa(山石榴)[1];Cordiera macrophylla[1];Cordiera sessilis[1];Dioecrescis erythroclada[1];Lamium album(短柄野芝麻)[1];Oldenlandia herbacea var. herbacea[1];Rosenbergiodendron longiflorum[1];Rothmannia globosa(九月钟花)[1];Tocoyena bullata[1]
Source familiesRubiaceae[14];Apocynaceae[1];Lamiaceae[1]
Genus / family recordsGardenia(栀子属)[1]
LOTUS species records15
LOTUS reference records28
COCONUT occurrence recordsAlibertia macrophylla;Allamanda schottii;Catunaregam nilotica;Catunaregam obovata;Catunaregam spinosa;Cordiera macrophylla;Cordiera sessilis;Dioecrescis erythroclada;Gardenia;Gardenia jasminoides;Genipa americana;Haliclona vansoesti;Hypecoum imberbe;Lamium album;Oldenlandia herbacea var. herbacea;Ramonda myconi;Ridsdalea wittii;Rosenbergiodendron longiflorum;Rothmannia globosa;Sedum purpureum;Syringa reticulata subsp. amurensis;Tocoyena bullata
COCONUT organism records22
COCONUT identifierCNP0237910.1

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
ShippingConfirmed with the quotation

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