Compound Identification
SMILES
COC1=CC(OC)=C(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@H]56)[C@@H]4CC=C3C2)C=C1
InChIKey
InChIKey=DEKYJEXXBGIXLJ-AHWSRRBLSA-N
Formula
C44H63NO10
Mass
765.985
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroidal glycosides
- Level 5 Steroidal saponins
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Subclass
Steroidal glycosides
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Class
Steroids and steroid derivatives
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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
Steroidal saponins
Alternative Parents
Triterpenoids Spirostanes and derivatives Delta-5-steroids N-acyl-alpha-hexosamines Cinnamic acid amides O-glycosyl compounds Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Ketals Alkyl aryl ethers Monosaccharides Oxanes Tetrahydrofurans Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Delta-5-steroid - N-acyl-alpha-hexosamine - Cinnamic acid amide - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - Dimethoxybenzene - M-dimethoxybenzene - Methoxybenzene - Styrene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ketal - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Tetrahydrofuran - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Ether - Acetal - Carboxylic acid derivative - Oxacycle - Primary alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
External Descriptors
Not available