Compound Identification
SMILES
C\C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)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]6O[C@H]6O[C@H](C)[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=UWIBPMODOUWPBX-AJIDHCQLSA-N
Formula
C49H76O18
Mass
953.129
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
-
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 7-alpha-hydroxysteroids 6-hydroxysteroids 16-oxosteroids O-glucuronides Disaccharides O-glycosyl compounds Tricarboxylic acids and derivatives Fatty acid esters Beta hydroxy acids and derivatives Pyrans Oxanes Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Acetals Carboxylic acids Polyols Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - 6-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - 16-oxosteroid - Oxosteroid - Steroid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Pyran - Oxane - Fatty acyl - Hydroxy acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Primary alcohol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic oxide - 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