Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(OC[C@H]1O[C@H]([C@H](ON(OC(=O)NCCCCCCNC=O)C2(CC[C@]3(C)C4CC[C@]5(C)[C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C(O)=O)[C@@H]1O)N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O)(C1=CC=CC=C1)C1=CC=C(OC)C=C1

InChIKey

InChIKey=CBJWHMMTYASNTO-HLIOXPMYSA-N

Formula

C73H94N6O13

Mass

1263.584

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Steroidal saponin - Cholestane-skeleton - Steroid acid - 3-carboxy steroid - Pregnane-type alkaloid - Triphenyl compound - 18-oxosteroid - Steroidal alkaloid - Oxosteroid - Azasteroid - Delta-5-steroid - Pyrimidine nucleoside - N-glycosyl compound - Glycosyl compound - Alpha-amino acid or derivatives - Pentose monosaccharide - Alkaloid or derivatives - Benzoic acid or derivatives - Benzamide - Benzylether - Phenol ether - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - Pyrimidone - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Hydropyrimidine - Monosaccharide - Pyrimidine - Oxolane - Heteroaromatic compound - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - N-organohydroxylamine - Azacycle - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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

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