Compound Identification
SMILES
C\C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)\C=C\C2=CC=CC=C2)[C@]23[C@@H](O)O[C@@]4(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC([C@@H](O)C(O[C@@H]8OC(CO)[C@H](O)C(O)[C@@H]8OC8O[C@@H](C)C(O)[C@H](O)C8OC8O[C@@H](C)[C@H](O)C(O)[C@@H]8O)[C@@H]7O[C@@H]7OC(CO)[C@@H](O)C(O)[C@@H]7O)C(O)=O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)C[C@H]2OC(C)=O)C3CC1(C)C
InChIKey
InChIKey=OECODFGEYAGOCZ-WSENZWEMSA-N
Formula
C76H112O33
Mass
1553.699
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 Tetracarboxylic acids and derivatives Cinnamic acid esters O-glycosyl compounds Styrenes Beta hydroxy acids and derivatives Fatty acid esters Oxepanes Pyrans Oxanes Enoate esters Tetrahydrofurans Hemiacetals Secondary alcohols Polyols Acetals Carboxylic acids Oxacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Tetracarboxylic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Styrene - Beta-hydroxy acid - Fatty acid ester - Oxepane - Pyran - Oxane - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Hydroxy acid - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Hemiacetal - Polyol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Oxacycle - Organooxygen compound - Primary alcohol - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - 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