Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](C1)(CC[C@@H]23)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OCCCS(O)(=O)=O

InChIKey

InChIKey=PVODACNPTLRQDN-DWQJXTRSSA-N

Formula

C35H56O16S

Mass

764.88

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene glycosides

Intermediate Tree Nodes

Diterpene glycosides

Direct Parent

Steviol glycosides

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Steviol glycoside - Diterpenoid - Kaurane diterpenoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Disaccharide - Glycosyl compound - O-glycosyl compound - Fatty acyl - Oxane - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organosulfur compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steviol glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically linked to a steviol (a diterpenoid based on a 13-Hydroxykaur-16-en-18-oic acid) moiety.

External Descriptors

Not available

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