Compound Identification
SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H]1O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4([C@H](O)C[C@@]32C)C(=O)O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)\C=C\C3=CC=CC=C3)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)C1(C)C
InChIKey
InChIKey=NXOJPRIMQZRNEZ-VHBDHRCWSA-N
Formula
C86H129NO41
Mass
1832.944
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
Prenol lipids
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Subclass
Terpene glycosides
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Level 5
Triterpene glycosides
- Level 6 Triterpene saponins
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Level 5
Triterpene glycosides
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Subclass
Terpene glycosides
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene glycosides
Intermediate Tree Nodes
Triterpene glycosides
Direct Parent
Triterpene saponins
Alternative Parents
Triterpenoids Oligosaccharides Fatty acyl glycosides N-acyl-alpha-hexosamines Cinnamic acid esters O-glycosyl compounds Tricarboxylic acids and derivatives Styrenes Fatty acid esters Beta hydroxy acids and derivatives Oxanes Tetrahydrofurans Tertiary alcohols Enoate esters Acetamides Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - N-acyl-alpha-hexosamine - Fatty acyl glycoside - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Styrene - Beta-hydroxy acid - Fatty acid ester - Hydroxy acid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Oxane - Cyclic alcohol - Acetamide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
External Descriptors
Not available