Compound Identification
SMILES
C[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)[C@H](C[C@@]6([C@H](O)C[C@@]54C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)OC(=O)C4=CC=CC=C4N)C3(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
InChIKey
InChIKey=CULDVLACEXGGFA-JBVMUASZSA-N
Formula
C79H122N2O37
Mass
1691.822
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 O-glycosyl compounds Aminobenzoic acids and derivatives Benzoic acid esters Aniline and substituted anilines Benzoyl derivatives Beta hydroxy acids and derivatives Oxanes Dicarboxylic acids and derivatives Acetamides Vinylogous amides Tetrahydrofurans Amino acids and derivatives Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Acetals Oxacyclic compounds Polyols Carbonyl compounds Organopnictogen compounds Organic oxides Primary alcohols Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - Fatty acyl glycoside - N-acyl-alpha-hexosamine - Glycosyl compound - O-glycosyl compound - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Monocyclic benzene moiety - Fatty acyl - Oxane - Benzenoid - Acetamide - Cyclic alcohol - Vinylogous amide - Tetrahydrofuran - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Polyol - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - 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