Compound Identification
SMILES
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C(O)=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@H]2O[C@@H]([C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O[C@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)C(C)(C)[C@@H]1CC3
InChIKey
InChIKey=YPXXUUWXJGOZRF-XBMWUVPJSA-N
Formula
C47H72O19
Mass
941.074
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal glycosides
- Level 5 Steroid glucuronide conjugates
-
Subclass
Steroidal glycosides
-
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
Steroid glucuronide conjugates
Alternative Parents
Triterpenoids Oligosaccharides Steroid acids O-glucuronides O-glycosyl compounds Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives Pyrans Oxanes Secondary alcohols Polyols Oxacyclic compounds Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Steroid-glucuronide-skeleton - Oligosaccharide - Steroid acid - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Glycosyl compound - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Pyran - Oxane - Hydroxy acid - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.
External Descriptors
Not available