Compound Identification
SMILES
[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@]([H])(O)C[C@]([H])(O[C@@]6([H])OC[C@]([H])(O)[C@@]([H])(O)[C@]6([H])O[C@@]6([H])O[C@@]([H])(C)[C@]([H])(OC(C)=O)[C@@]([H])(OC(C)=O)[C@]6([H])OC(C)=O)[C@@]5(C)[C@@]4([H])CC[C@@]3(C)[C@@]1([H])[C@]([H])(C)[C@@]1(O2)OCC(=C)[C@@]([H])(O)[C@@]1([H])O
InChIKey
InChIKey=MBDYQOIVJMSYGC-CLHKOJBHSA-N
Formula
C44H64O17
Mass
864.979
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
Triterpenoids Spirostanes and derivatives 3-alpha-hydroxysteroids 3-hydroxy delta-5-steroids Delta-5-steroids Disaccharides O-glycosyl compounds Tricarboxylic acids and derivatives Ketals Oxanes Tetrahydrofurans Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Polyols Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - 24-hydroxysteroid - 23-hydroxysteroid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Delta-5-steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Ketal - Oxane - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Polyol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - 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