Compound Identification
SMILES
CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2C=CC(=O)OC2N)C(O)C(O)C1O
InChIKey
InChIKey=NHKQIPVSZZASHT-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
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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
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 Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Polyols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Steroidal glycoside - 14-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Pyran - Oxane - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Acetal - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Alcohol - 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