Compound Identification
SMILES
[H]\C(=C(\[H])C1=CC(O)=C(OC)C=C1)C(=O)O[C@@]1([H])[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O[C@]3([H])CO[C@@]([H])(O[C@]4([H])[C@@]([H])(O)[C@]([H])(C)O[C@@]([H])(O[C@]5([H])[C@@]([H])(O)[C@@]([H])(O)CO[C@@]5([H])O[C@]5([H])CC[C@@]6(C)[C@@]([H])(CC[C@]7(C)[C@]6([H])CC=C6[C@]8([H])CC(C)(C)CC[C@@]8(CC[C@@]76C)C(=O)O[C@]6([H])O[C@]([H])(CO[C@]7([H])O[C@]([H])(CO)[C@@]([H])(O[C@]8([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@@]([H])(O)[C@]([H])(O)[C@@]6([H])O)C5(C)C)[C@]4([H])O)[C@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)O[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O[C@]1([H])O[C@]([H])(CO[C@]2([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]2([H])O)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O
InChIKey
InChIKey=RPMQFDNVLPXURG-FHLMLHAWSA-N
Formula
C110H172O61
Mass
2470.525
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene glycosides
- Level 5 Triterpene glycosides
-
Subclass
Terpene glycosides
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Triterpene glycosides
Alternative Parents
Polysaccharides Triterpene saponins Triterpenoids Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds Methoxyphenols Phenoxy compounds Anisoles Styrenes Methoxybenzenes 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Oxanes Enoate esters Secondary alcohols Acetals Oxacyclic compounds Polyols Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polysaccharide - Triterpene saponin - Triterpene glycoside - Triterpenoid - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - Styrene - Anisole - Fatty acid ester - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Ether - Acetal - Oxacycle - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Organic oxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpene glycosides. These are triterpenoids in which an isoprene unit is glycosylated.
External Descriptors
Not available