Compound Identification
SMILES
COC1=C(OC)C=C(\C=C\C(=O)O[C@H]2[C@@H](C)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@](C)([C@@H]6CC[C@@]5(C)[C@]3(CO)CC4)C(O)=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H]2O)C=C1
InChIKey
InChIKey=JEQDQMZCNKJKCN-INNILTGOSA-N
Formula
C75H112O36
Mass
1589.685
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
Prenol lipids
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Subclass
Terpene glycosides
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Level 5
Triterpene glycosides
- Level 6 Triterpene saponins
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Level 5
Triterpene glycosides
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Subclass
Terpene glycosides
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene glycosides
Intermediate Tree Nodes
Triterpene glycosides
Direct Parent
Triterpene saponins
Alternative Parents
Triterpenoids Oligosaccharides 12-alpha-hydroxysteroids Fatty acyl glycosides Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds Dimethoxybenzenes Tricarboxylic acids and derivatives Styrenes Anisoles Phenoxy compounds Alkyl aryl ethers Fatty acid esters Oxanes Enoate esters Cyclic alcohols and derivatives Secondary alcohols Polyols Carboxylic acids Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - Hydroxysteroid - 15-hydroxysteroid - 12-hydroxysteroid - 12-alpha-hydroxysteroid - Steroid - Fatty acyl glycoside - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - O-glycosyl compound - Glycosyl compound - Dimethoxybenzene - O-dimethoxybenzene - Tricarboxylic acid or derivatives - Styrene - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Oxane - Benzenoid - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Organooxygen compound - Organic oxygen compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
External Descriptors
Not available