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]2O)C3CC1(C)C
InChIKey
InChIKey=JFWFXEOYRZGWQD-ABVQKPSOSA-N
Formula
C74H110O32
Mass
1511.662
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 Tricarboxylic acids and derivatives Styrenes Beta hydroxy acids and derivatives Fatty acid esters Oxepanes Pyrans Oxanes Tetrahydrofurans Enoate esters Hemiacetals Cyclic alcohols and derivatives Secondary alcohols Polyols Acetals Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - Fatty acyl glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - O-glycosyl compound - Glycosyl compound - Tricarboxylic acid or derivatives - Styrene - Beta-hydroxy acid - Fatty acid ester - Oxepane - Hydroxy acid - Monocyclic benzene moiety - Pyran - Fatty acyl - Benzenoid - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - 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