ClassyFire

Compound Identification

SMILES

CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3=C[C@H](O)[C@@]21C

InChIKey

InChIKey=MBCQKXULGRJSSA-ZQPMETRHSA-N

Formula

C55H90O24

Mass

1135.301

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 Steroidal glycosides 12-hydroxysteroids 7-alpha-hydroxysteroids 14-alpha-methylsteroids Delta-5-steroids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Disaccharides O-glycosyl compounds Oxanes Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Triterpene saponin - Triterpenoid - Steroidal glycoside - 12-hydroxysteroid - Hydroxysteroid - 14-alpha-methylsteroid - 7-alpha-hydroxysteroid - 7-hydroxysteroid - Delta-5-steroid - Steroid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Disaccharide - Glycosyl compound - O-glycosyl compound - Fatty acyl - Oxane - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Organic oxide - Alcohol - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - 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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