Compound Identification
SMILES
COC1=CC(=O)C2=C(C(C)=C3C[C@@]4(O)[C@H](O[C@H]5CC[C@H](O[C@H]6C[C@@](C)(O)[C@H](OC(=O)C7=C(C)C=CC(C)=C7O)[C@H](C)O6)[C@@H](C)O5)C(=O)C(C(C)=O)=C(O)[C@@]4(O)C(=O)C3=C2O)C1=O
InChIKey
InChIKey=IFCBPTPGDINHLK-VSYKUZCLSA-N
Formula
C44H48O18
Mass
864.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Anthracenes
-
Subclass
Anthraquinones
- Level 5 Anthraquinone glycosides
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Subclass
Anthraquinones
-
Class
Anthracenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Anthraquinones
Intermediate Tree Nodes
Not available
Direct Parent
Anthraquinone glycosides
Alternative Parents
o-Hydroxybenzoic acid esters Disaccharides O-glycosyl compounds Tetralins Salicylic acid and derivatives Naphthalenes p-Xylenols p-Xylenes Aryl alkyl ketones Benzoyl derivatives Quinones Ortho cresols Meta cresols 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Oxanes Vinylogous esters Vinylogous acids Tertiary alcohols Carboxylic acid esters Enols Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthraquinone glycoside - O-hydroxybenzoic acid ester - O-glycosyl compound - Glycosyl compound - Disaccharide - Naphthalene - Salicylic acid or derivatives - Tetralin - Benzoate ester - P-xylenol - Xylenol - Benzoic acid or derivatives - M-cresol - O-cresol - Quinone - P-xylene - Xylene - Benzoyl - Aryl ketone - Aryl alkyl ketone - Phenol - Cyclohexenone - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Oxane - Tertiary alcohol - Vinylogous acid - Vinylogous ester - Carboxylic acid ester - Cyclic ketone - Ketone - Polyol - Enol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthraquinone glycosides. These are organic compounds containing an anthraquinone moiety glycosidically bound to a carbohydrate moiety.
External Descriptors
Not available