Compound Identification
SMILES
[H][C@@]1(O[C@@]2([H])[C@@]([H])(O)[C@]([H])(O[C@]3([H])[C@@]([H])(O)[C@@]([H])(OC(=O)C=CC4=CC=C(OC)C=C4)[C@@]([H])(C)O[C@@]3([H])OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CC[C@]5([H])[C@@]6(C)C[C@]([H])(O)[C@]([H])(O[C@]7([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])O)[C@@](C)(C(O)=O)[C@]6([H])CC[C@@]5(C)[C@]3(CO)CC4)O[C@@]([H])(C)[C@]2([H])O[C@]2([H])OC[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)OC[C@](O)(CO)[C@@]1([H])O
InChIKey
InChIKey=MHKVFEQHYBEOHA-JISIGWSCSA-N
Formula
C74H110O35
Mass
1559.659
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 O-glycosyl compounds Tricarboxylic acids and derivatives Phenoxy compounds Anisoles Styrenes Methoxybenzenes Alkyl aryl ethers Fatty acid esters Oxanes Tetrahydrofurans Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Acetals Polyols Oxacyclic compounds Carboxylic acids Carbonyl compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - 12-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 12-alpha-hydroxysteroid - Steroid - Fatty acyl glycoside - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Styrene - Fatty acid ester - Alkyl aryl ether - Benzenoid - Oxane - Fatty acyl - Monocyclic benzene moiety - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Carboxylic acid - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Polyol - Primary alcohol - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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
CHEBI:74453 : cinnamate ester - hydroxy monocarboxylic acid - triterpenoid saponin - pentacyclic triterpenoid