Compound Identification
SMILES
CCC(C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C\C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO
InChIKey
InChIKey=LPHWHWVLCPLJNB-FMSLLFSISA-N
Formula
C57H90O23
Mass
1143.324
Taxonomic Classification
Taxonomy Tree
-
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
-
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 7-alpha-hydroxysteroids 6-hydroxysteroids 16-oxosteroids Fatty acyl glycosides O-glucuronides O-glycosyl compounds Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives Fatty acid esters Oxanes Pyrans Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Acetals Carboxylic acids Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - 6-hydroxysteroid - Hydroxysteroid - 16-oxosteroid - Oxosteroid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - Steroid - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Pyran - Hydroxy acid - Fatty acyl - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Acetal - Carboxylic acid - Carboxylic acid derivative - Polyol - Oxacycle - Organic oxide - Organic oxygen compound - Primary alcohol - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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