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](COCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1O)[C@H]1CCC(C)C(=O)O1
InChIKey
InChIKey=BVDGPEUTPQFRIU-UFVQCPKRSA-N
Formula
C54H70O8
Mass
847.146
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 Delta-5-steroids Diterpenoids O-glycosyl compounds Benzylethers Delta valerolactones Monosaccharides Oxanes Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Withanolide-glycoside - Diterpene glycoside - Steroidal glycoside - Diterpene lactone - Diterpenoid - Delta-5-steroid - Terpene glycoside - Glycosyl compound - O-glycosyl compound - Benzylether - Delta valerolactone - Delta_valerolactone - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Acetal - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic 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