Compound Identification
SMILES
COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](OCC3=CC=CC=C3)O[C@@H]3CO[C@@H](O[C@H]23)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=QANXGMVWEQGOBK-YXDGQPFJSA-N
Formula
C50H47NO15
Mass
901.918
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
-
Level 6
Glucuronic acid derivatives
-
Level 7
Glucuronides
- Level 8 O-glucuronides
-
Level 7
Glucuronides
-
Level 6
Glucuronic acid derivatives
-
Level 5
Sugar acids and derivatives
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
Direct Parent
O-glucuronides
Alternative Parents
Tetracarboxylic acids and derivatives Disaccharides O-glycosyl compounds Benzoic acid esters Pyranodioxins Benzoyl derivatives Oxanes Pyrans 1,3-dioxanes Methyl esters Acetamides Secondary carboxylic acid amides Acetals Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Tetracarboxylic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzoate ester - Pyranodioxin - Benzoic acid or derivatives - Benzoyl - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Acetamide - Methyl ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
External Descriptors
Not available