Compound Identification
SMILES
COC(=O)C1CC(C)(OC2CCC3(C)C(CCC4C5CCC(C(=O)COC6(C)OC(C(OC(C)=O)C(OC(C)=O)C6OC(C)=O)C(=O)OC)C5(C)CC(=O)C34)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey
InChIKey=SHUAVQLWMJEMOR-UHFFFAOYSA-N
Formula
C50H70O21
Mass
1007.089
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroidal glycosides
- Level 5 Steroid glucuronide conjugates
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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
Steroid glucuronide conjugates
Alternative Parents
Vitamin D and derivatives Triterpenoids 20-oxosteroids Androstane steroids 11-oxosteroids Fatty acyl glycosides of mono- and disaccharides O-glucuronides Alkyl glycosides Ketals Pyrans Oxanes Monosaccharides Cyclitols and derivatives Methyl esters Ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Steroid-glucuronide-skeleton - 20-oxosteroid - Androstane-skeleton - Oxosteroid - 11-oxosteroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Ketal - Fatty acyl - Pyran - Oxane - Monosaccharide - Cyclitol or derivatives - Methyl ester - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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