Compound Identification
SMILES
C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[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[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H]1C[C@@H](C)[C@H](C)C(=O)O1
InChIKey
InChIKey=JILPKRCJPRKBEL-XEYXQZHDSA-N
Formula
C52H84O23
Mass
1077.221
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 Oligosaccharides Diterpene lactones Delta-5-steroids Diterpenoids O-glycosyl compounds Delta valerolactones Oxanes Secondary alcohols Carboxylic acid esters Acetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-glycoside - Diterpene glycoside - Steroidal glycoside - Oligosaccharide - Diterpene lactone - Diterpenoid - Delta-5-steroid - Terpene glycoside - Glycosyl compound - O-glycosyl compound - Delta valerolactone - Delta_valerolactone - Oxane - Carboxylic acid ester - Secondary alcohol - Lactone - Polyol - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - 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