Structure Information
Structure

Compound Identification

SMILES

CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O

InChIKey

InChIKey=LPLVUJXQOOQHMX-VTLODIHKSA-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 - Cyclohexenone - Beta-hydroxy acid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - 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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