ClassyFire

Compound Identification

SMILES

CCCC(=O)O[C@H]1[C@H](OC(=O)C(\C)=C/C)C(C)(C)C[C@H]2[C@@]34CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(O)=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@@H](OC(C)=O)[C@@]12[C@@H](O)O4

InChIKey

InChIKey=WVNIURBOPITRGQ-HEXCFNPDSA-N

Formula

C65H102O29

Mass

1347.502

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Terpene glycosides
      - Level 5 Triterpene glycosides
        
        Level 6 Triterpene saponins

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene glycosides

Intermediate Tree Nodes

Triterpene glycosides

Direct Parent

Triterpene saponins

Alternative Parents

Triterpenoids Oligosaccharides Fatty acyl glycosides O-glucuronides Tetracarboxylic acids and derivatives O-glycosyl compounds Beta hydroxy acids and derivatives Fatty acid esters Oxepanes Pyrans Oxanes Tetrahydrofurans Enoate esters Secondary alcohols Hemiacetals Oxacyclic compounds Acetals Carboxylic acids Polyols Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Triterpene saponin - Triterpenoid - Oligosaccharide - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Tetracarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Fatty acid ester - Oxepane - Pyran - Fatty acyl - Hydroxy acid - Oxane - Tetrahydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Hemiacetal - Organoheterocyclic compound - Polyol - Acetal - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Primary alcohol - Alcohol - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.

External Descriptors

Not available

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