Compound Identification
SMILES
CC1=C(C)C(=O)OC(C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC(=O)[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=IPSCCJLJXMIYRK-XLWUWFQLSA-N
Formula
C40H60O15
Mass
780.905
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Withanolides and derivatives
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Subclass
Steroid lactones
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid lactones
Intermediate Tree Nodes
Withanolides and derivatives
Direct Parent
Withanolide glycosides and derivatives
Alternative Parents
Diterpene glycosides Steroidal glycosides Diterpene lactones Hydroxysteroids Oxosteroids Delta-5-steroids Diterpenoids Disaccharides O-glycosyl compounds Dihydropyranones Oxanes Tertiary alcohols Enoate esters Lactones Ketones Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Aldehydes Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-glycoside - Diterpene glycoside - Steroidal glycoside - 20-hydroxysteroid - Diterpene lactone - Diterpenoid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - Delta-5-steroid - Terpene glycoside - Disaccharide - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Oxane - Pyran - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Lactone - Ketone - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Primary alcohol - Organic oxygen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as withanolide glycosides and derivatives. These are withanolides in which at least one hydroxyl group is glycosylated.
External Descriptors
Not available