Compound Identification
SMILES
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CNC(=O)COC3=CC=CC=C3)[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)O[C@]11CC[C@@H](C)CO1
InChIKey
InChIKey=JNVKYRNDDOYPBI-PDLLQVBASA-N
Formula
C53H79NO17
Mass
1002.205
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
Steroidal glycosides
- Level 5 Steroidal saponins
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Subclass
Steroidal glycosides
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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
Steroidal glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Steroidal saponins
Alternative Parents
Triterpenoids Spirostanes and derivatives Delta-5-steroids Disaccharides O-glycosyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Ketals Oxanes Tetrahydrofurans Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Delta-5-steroid - O-glycosyl compound - Glycosyl compound - Disaccharide - Phenol ether - Phenoxy compound - Alkyl aryl ether - Ketal - Oxane - Benzenoid - Monocyclic benzene moiety - Tetrahydrofuran - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
External Descriptors
Not available