Compound Identification
SMILES
CSC1=CC2=C(C(=O)C3=C(C(O)=C(C=C3)[C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)C2=O)[C@@]2(O[C@H]3CC[C@H](O)[C@H](C)O3)C(=O)C[C@](C)(O)C[C@@]12O
InChIKey
InChIKey=WDNBUGBJVRAIKE-JGRVRNPESA-N
Formula
C44H58O17S
Mass
890.99
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
Angucyclines Hydroxyanthraquinones Disaccharides O-glycosyl compounds Naphthalenes Aryl ketones Quinones 1-hydroxy-4-unsubstituted benzenoids Oxanes Tertiary alcohols Vinylogous acids Secondary alcohols Thioenol ethers Cyclic alcohols and derivatives Oxacyclic compounds Sulfenyl compounds Dialkyl ethers Polyols Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthraquinone glycoside - Angucycline core - Hydroxyanthraquinone - Disaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Aryl ketone - Quinone - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Tertiary alcohol - Cyclic alcohol - Vinylogous acid - Secondary alcohol - Thioenolether - Ketone - Sulfenyl compound - Polyol - Dialkyl ether - Ether - Oxacycle - Acetal - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxygen compound - Organosulfur compound - 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