Compound Identification
SMILES
CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=COC(=O)CC2N)C(O)C(O)C1O
InChIKey
InChIKey=ICLDPHKDEMVGGV-UHFFFAOYSA-N
Formula
C30H45NO8
Mass
547.689
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
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Subclass
Steroid lactones
-
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
Steroid lactones
Intermediate Tree Nodes
Bufanolides and derivatives
Direct Parent
Bufanolide glycosides and derivatives
Alternative Parents
Steroidal glycosides 14-hydroxysteroids Delta-4-steroids O-glycosyl compounds Dihydropyranones Oxanes Monosaccharides Tertiary alcohols Enol esters Secondary alcohols Amino acids and derivatives Cyclic alcohols and derivatives Lactones Polyols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Steroidal glycoside - 14-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Monosaccharide - Oxane - Cyclic alcohol - Enol ester - Tertiary alcohol - Secondary alcohol - Amino acid or derivatives - Lactone - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Acetal - Primary amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bufanolide glycosides and derivatives. These are bufanolides that are glycosidically linked to a glucose moiety.
External Descriptors
Not available