Compound Identification
SMILES
COc1ccc(cc1)C(CN(C)C)C1(CCCCC1)OC1OC(C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O)C(O)=O
InChIKey
InChIKey=KGJIFKFZRCIRLX-UHFFFAOYSA-N
Formula
C29H43NO14
Mass
629.656
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
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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
O-glycosyl compounds Disaccharides Phenoxy compounds Methoxybenzenes Anisoles Beta hydroxy acids and derivatives Aralkylamines Alkyl aryl ethers Pyrans Oxanes Dicarboxylic acids and derivatives Trialkylamines Secondary alcohols Amino acids Polyols Oxacyclic compounds Carboxylic acids Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - O-glycosyl compound - Glycosyl compound - Disaccharide - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Aralkylamine - Beta-hydroxy acid - Alkyl aryl ether - Benzenoid - Pyran - Oxane - Hydroxy acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteromonocyclic 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