Compound Identification
SMILES
C[C@@H]1OC(OC2C(O[C@@H]3[C@H](OC4[C@H](O)C(O[C@@H](O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC[C@]68O[C@H](O)[C@]9(C6CC(C)(C)[C@@H](OC(=O)C6=CC=CC=C6)[C@@H]9OC(=O)\C=C\C6=CC=CC=C6)[C@H](O)C[C@@]78C)C5(C)C)[C@H]4O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)C(O)=O)OC(CO)[C@H](O)C3O)O[C@@H](C)C(O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
InChIKey
InChIKey=AFPMUEHLKHIPFM-LRYBQLDVSA-N
Formula
C76H108O32
Mass
1533.668
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 O-glucuronides Cinnamic acid esters O-glycosyl compounds Benzoic acid esters Tricarboxylic acids and derivatives Styrenes Benzoyl derivatives Beta hydroxy acids and derivatives Oxepanes Fatty acid esters Oxanes Pyrans Enoate esters Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Hemiacetals Acetals Oxacyclic compounds Carboxylic acids Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Styrene - Beta-hydroxy acid - Fatty acid ester - Oxepane - Monocyclic benzene moiety - Fatty acyl - Pyran - Benzenoid - Hydroxy acid - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Tetrahydrofuran - Hemiacetal - Secondary alcohol - Carboxylic acid ester - Polyol - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Primary alcohol - Organooxygen compound - 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