Compound Identification
SMILES
C[C@H]1[C@H]2[C@@H](O[C@@]11OC(=O)[C@H](C)C[C@@H]1O)[C@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]21C)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIKey
InChIKey=CEOFBCAKZKYATO-CXLACSAPSA-N
Formula
C51H82O26
Mass
1111.191
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
Withanolide glycosides and derivatives Triterpenoids Spirostanes and derivatives Oligosaccharides Prostaglandins and related compounds Hydroxysteroids O-glycosyl compounds Ketals Delta valerolactones Oxanes Tetrahydrofurans Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Withanolide-glycoside - Triterpenoid - Spirostane skeleton - Withanolide-skeleton - Oligosaccharide - 23-hydroxysteroid - Prostaglandin skeleton - Steroid lactone - Eicosanoid - 15-hydroxysteroid - Hydroxysteroid - Glycosyl compound - O-glycosyl compound - Delta_valerolactone - Ketal - Delta valerolactone - Fatty acyl - Oxane - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - 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