Compound Identification
SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C
InChIKey
InChIKey=KWRQPASKWCJCPI-DOGUGFTJSA-N
Formula
C41H70O13
Mass
770.998
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 12-hydroxysteroids 14-alpha-methylsteroids 3-beta-hydroxysteroids 6-hydroxysteroids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides O-glycosyl compounds Disaccharides Oxanes Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Acetals Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - 3-hydroxysteroid - 14-alpha-methylsteroid - 12-hydroxysteroid - 6-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - Steroid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Disaccharide - Glycosyl compound - O-glycosyl compound - Fatty acyl - Oxane - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - 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