Compound Identification
SMILES
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChIKey
InChIKey=PCQOITPWNKCXLU-KFRHEUMDSA-N
Formula
C36H54O10
Mass
646.818
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
-
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 O-glucuronides Hexoses Beta hydroxy acids and derivatives Cyclohexenones Pyrans Oxanes Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Polyols Acetals Carboxylic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Cyclohexenone - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Pyran - Oxane - Hydroxy acid - Monosaccharide - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Polyol - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - 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