Compound Identification
SMILES
[H][C@@](C)(CC[C@@]1(OC)O[C@@]2([H])C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@]([H])(O[C@]6([H])O[C@]([H])(CO)[C@]([H])(O[C@]7([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])O[C@]7([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]2([H])[C@]1([H])C)CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
InChIKey
InChIKey=CKNKYVMVZPUAOQ-CUANBLAYSA-N
Formula
C52H88O25
Mass
1113.251
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
Steroids and steroid derivatives
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Subclass
Steroidal glycosides
- Level 5 Steroidal saponins
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Subclass
Steroidal glycosides
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroidal glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Steroidal saponins
Alternative Parents
Diterpene glycosides Furostanes and derivatives Oligosaccharides Hydroxysteroids Diterpenoids Alkyl glycosides O-glycosyl compounds Ketals Oxanes Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Diterpene glycoside - Furostane-skeleton - Oligosaccharide - Diterpenoid - 2-hydroxysteroid - Hydroxysteroid - Terpene glycoside - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Ketal - Fatty acyl - Oxane - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
External Descriptors
Not available