Compound Identification
SMILES
C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC(C)=C(CO)C(=O)O1
InChIKey
InChIKey=PRNFAKRMKREHJM-XYLPFXPVSA-N
Formula
C34H50O11
Mass
634.763
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
-
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 Oxosteroids Hydroxysteroids Delta-5-steroids Diterpenoids O-glycosyl compounds Dihydropyranones Oxanes Monosaccharides Enoate esters Lactones Ketones Secondary alcohols Oxacyclic compounds Acetals Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-glycoside - Diterpene glycoside - 26-hydroxysteroid - Steroidal glycoside - Diterpene lactone - Diterpenoid - 19-hydroxysteroid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - Delta-5-steroid - Terpene glycoside - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Oxane - Pyran - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Primary alcohol - Organooxygen compound - Carbonyl group - 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
CHEBI:69113 : beta-D-glucoside - monosaccharide derivative - delta-lactone - 27-hydroxy steroid - 19-hydroxy steroid - ergostanoid - withanolide saponin