Compound Identification
SMILES
C[C@H]1O[C@@H](O[C@](C)(CC\C=C(/C)C(=O)O[C@@H]2[C@@H](C)O[C@@H](O[C@@](C)(CC\C=C(/CO)C(=O)O[C@H]3C[C@@]4([C@H](O)C[C@]5(C)C(=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8O[C@H](CO[C@@H]9O[C@H](C)[C@H](O)[C@H](O)[C@H]9O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8NC(C)=O)C(C)(C)[C@@H]7CC[C@@]56C)[C@@H]4CC3(C)C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)C=C)[C@H](O)[C@H]2O)C=C)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=ZZTZUIWEGVQEJH-NDHHSYDSSA-N
Formula
C104H165NO49
Mass
2213.422
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 N-acyl-alpha-hexosamines Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Tricarboxylic acids and derivatives Fatty acid esters Beta hydroxy acids and derivatives Oxanes Monosaccharides Tetrahydrofurans Enoate esters Acetamides Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - N-acyl-alpha-hexosamine - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Tricarboxylic acid or derivatives - Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Oxane - Monosaccharide - Hydroxy acid - Acetamide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic 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