Compound Identification
SMILES
CCCCOC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)[C@@H](OC(=O)\C=C(/C)CCC=C(C)C)[C@H](OC(=O)C(C)CC)[C@]5(CO)[C@H](O)[C@H](O)[C@@]43C)C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O
InChIKey
InChIKey=NRJDYTBXPQINHA-MPKWBJNVSA-N
Formula
C66H106O23
Mass
1267.551
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 Oligosaccharides 16-oxosteroids 6-hydroxysteroids 7-alpha-hydroxysteroids Fatty acyl glycosides O-glucuronides O-glycosyl compounds Tricarboxylic acids and derivatives Fatty acid esters Pyrans Oxanes Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Acetals Polyols Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - 6-hydroxysteroid - Hydroxysteroid - 16-oxosteroid - Oxosteroid - 7-alpha-hydroxysteroid - 7-hydroxysteroid - Steroid - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Oxane - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Primary alcohol - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - 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