Compound Identification
SMILES
[H][C@]1(O)C[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4(CC[C@@]32CO)C(=O)O[C@]2([H])O[C@]([H])(C)[C@]([H])(OC(=O)C=CC3=CC=C(OC)C=C3)[C@]([H])(O[C@]3([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]3([H])O)[C@@]2([H])O[C@]2([H])O[C@@]([H])(C)[C@]([H])(O[C@]3([H])OC[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@@]([H])(O)[C@@]2([H])O)[C@](C)(C(O)=O)[C@@]1([H])O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
InChIKey
InChIKey=QSTBHNPMHXYCII-MAEWDLDLSA-N
Formula
C75H112O35
Mass
1573.686
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 Styrenes Anisoles Methoxybenzenes 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 - 12-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 12-alpha-hydroxysteroid - Steroid - Fatty acyl glycoside - Cinnamic acid or derivatives - Cinnamic acid ester - O-glycosyl compound - Glycosyl compound - Tricarboxylic acid or derivatives - Phenol ether - Styrene - Anisole - Phenoxy compound - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - 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
CHEBI:66469 : cinnamate ester - hydroxy monocarboxylic acid - triterpenoid saponin - pentacyclic triterpenoid