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
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
-
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
Cholestane steroids 3-carboxy steroids Triphenyl compounds Pregnane-type alkaloids Oxosteroids Delta-5-steroids Azasteroids and derivatives Pyrimidine nucleosides Glycosylamines Pentoses Alpha amino acids and derivatives Alkaloids and derivatives Benzamides Benzylethers Anisoles Methoxybenzenes Benzoyl derivatives Phenoxy compounds Pyrimidones Alkyl aryl ethers Imidolactams Hydropyrimidines Oxolanes Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Monocarboxylic acids and derivatives N-organohydroxylamines Azacyclic compounds Oxacyclic compounds Carboxylic acids Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
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