Compound Identification
SMILES
C[C@@H]1[C@@]2(CC[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CO2)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]12O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]1O
InChIKey
InChIKey=OPOFYHQOGUVQQC-MWKJVKGESA-N
Formula
C47H74O20
Mass
959.089
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 17-hydroxysteroids Delta-5-steroids Disaccharides O-glycosyl compounds Ketals Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Hydroxysteroid - 17-hydroxysteroid - Delta-5-steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tertiary alcohol - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Polyol - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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