Structure Information
Structure

Compound Identification

SMILES

CC12CC(OC1=O)C1(C)CCC3(C)C(CCC4C5(CO)CCC(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(O)=O)C(C)(C)C5CCC34C)C1=C2

InChIKey

InChIKey=PBIHXRFDHSKBHE-MXEHMZDBSA-N

Formula

C42H62O16

Mass

822.942

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acyl glycosides

Intermediate Tree Nodes

Not available

Direct Parent

Sophorolipids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Sophorolipid - Triterpene saponin - Triterpene glycoside - Triterpenoid - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Tricarboxylic acid or derivatives - Fatty alcohol - Fatty acid ester - Beta-hydroxy acid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as sophorolipids. These are glycolipids containing a sophorose moiety linked glycosidically to the hydroxyl group of a 17-hydroxy-C18 saturated fatty acid. The carboxyl group of the fatty acid can be linked to the 4'-hydroxyl of the second glucose to form a lactone.

External Descriptors

Not available

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