Compound Identification
SMILES
CCCC(=O)O[C@@H]1[C@@H](C)O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@H]67)[C@@H]5CC=C4C3)[C@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@H]1O
InChIKey
InChIKey=YVKRLUSOQCORQN-KQFAVMJLSA-N
Formula
C49H78O17
Mass
939.146
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
-
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 Oligosaccharides Delta-5-steroids O-glycosyl compounds Ketals Fatty acid esters Oxanes Tetrahydrofurans Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Primary alcohols Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Oligosaccharide - Delta-5-steroid - Glycosyl compound - O-glycosyl compound - Ketal - Fatty acid ester - Fatty acyl - Oxane - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Primary alcohol - Organooxygen compound - Organic oxygen 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