Compound Identification
SMILES
CO[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]2O[C@@H](CC[C@@H](C)[C@H]2C[C@@H](O)[C@@H]3[C@]2(C)CC[C@@H]2[C@@]4(C)CC[C@H](O)[C@H](O)[C@@H]4[C@@H](O)[C@@H](O)[C@@]32O)C(C)C)[C@@H](C)OS(O)(=O)=O)[C@H](OC)[C@H]1O
InChIKey
InChIKey=OZYMBUAWCHFDNC-OVVWXIQHSA-N
Formula
C41H72O18S
Mass
885.07
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Pentahydroxy bile acids, alcohols and derivatives
Alternative Parents
Steroidal glycosides 3-beta-hydroxysteroids 6-hydroxysteroids 7-hydroxysteroids Disaccharide sulfates O-glycosyl compounds Sulfuric acid monoesters Alkyl sulfates Oxanes Tertiary alcohols Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Polyols Dialkyl ethers Acetals Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pentahydroxy bile acid, alcohol, or derivatives - Steroidal glycoside - 3-hydroxysteroid - 4-hydroxysteroid - 6-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 7-hydroxysteroid - Disaccharide sulfate - Disaccharide - Glycosyl compound - O-glycosyl compound - Sulfuric acid monoester - Sulfate-ester - Oxane - Sulfuric acid ester - Alkyl sulfate - Tetrahydrofuran - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Polyol - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Acetal - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
External Descriptors
Not available