Compound Identification
SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(CO)[C@@H](CC[C@]5(C)[C@@H]4CC[C@@H]4[C@H](CC[C@@]54C)[C@@](O)(CCC=C(C)C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=KACVVWZFKSGSLO-GIVFAMPTSA-N
Formula
C53H90O22
Mass
1079.281
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 Steroidal glycosides Oligosaccharides Hydroxysteroids 14-alpha-methylsteroids Alkyl glycosides O-glycosyl compounds Oxanes Tertiary alcohols Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Steroidal glycoside - Oligosaccharide - 20-hydroxysteroid - 19-hydroxysteroid - Hydroxysteroid - 14-alpha-methylsteroid - Steroid - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Oxane - Fatty acyl - Tertiary alcohol - Secondary alcohol - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Primary 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