Compound Identification
SMILES
[H]\C(=C(\[H])C1=CC(OC)=C(OC)C(OC)=C1)C(=O)O[C@@]1([H])[C@@]([H])(C)O[C@@]([H])(OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@]([H])(O)[C@]([H])(O[C@]6([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]6([H])O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@]([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@]3([H])OC[C@](O)(COC(=O)C[C@@](C)(O)CC(O)=O)[C@@]3([H])O)[C@@]2([H])O)[C@@]1([H])O[C@@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
InChIKey
InChIKey=WIZMDEROXUTDSQ-NOLIYMQJSA-N
Formula
C88H132O45
Mass
1909.979
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 Pentacarboxylic acids and derivatives Fatty acyl glycosides Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds Phenoxy compounds Anisoles Methoxybenzenes Styrenes Alkyl aryl ethers Fatty acid esters Oxanes Tertiary alcohols Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Polyols Acetals Oxacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - 12-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 12-alpha-hydroxysteroid - Steroid - Pentacarboxylic acid or derivatives - Fatty acyl glycoside - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Styrene - Fatty acid ester - Alkyl aryl ether - Benzenoid - Oxane - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Ether - Oxacycle - Acetal - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Primary alcohol - Organic oxide - Organic oxygen 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
Not available