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Chemical structure of Yadanzioside G
Triterpenoids

Yadanzioside G

鸦胆子苷G

PHY-NP-01459 · Natural product research catalog

Catalog numberPHY-NP-01459
CAS number95258-17-6
Molecular formulaC36H48O18
Molecular weight768.762 g/mol
Chemical classTriterpenoids
Purity / assayConfirmed in quotation and batch COA

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Product information

Yadanzioside G is listed in the Triterpenoids 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

SMILESC[C@H]1[C@@H]2C[C@@H]3[C@@]45COC([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC
InChIKeyYNYBTCKMNHXXGZ-DKGNXMDVSA-N
Subclass / scaffoldQuassinoids;皂苷/苷
PubChem CID6436228

Computed properties & structure classification

Exact mass (Da)768.2841Predicted LogP-2.0468
Predicted TPSA (Ų)271.34H-bond donors6
H-bond acceptors18Rotatable bonds8
Ring count6Aromatic rings0
Fraction Csp³0.75Synthetic accessibility score7.22
QED score0.088Lipinski rule violations3
NPClassifier pathwayTerpenoidsNPClassifier superclassTriterpenoids
NPClassifier classQuassinoidsParent SMILESCOC(=O)C12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\C)C(C)(C)OC(C)=O)[C@@H]24
Parent formulaC36H48O18Parent molecular weight768.762
Specified stereocenters15Unspecified stereocenters1

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

Reported natural occurrence

Main reported sourceBrucea antidysenterica
LOTUS / Wikidata speciesBrucea antidysenterica[1];Brucea javanica(鸦胆子)[1]
Source familiesSimaroubaceae[2]
LOTUS species records2
LOTUS reference records2
COCONUT occurrence recordsBrucea antidysenterica;Brucea javanica
COCONUT organism records2
COCONUT identifierCNP0142347.4

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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