Compound Identification
SMILES
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6[C@H](CO)O[C@@H](OC[C@H]7O[C@@H](O[C@H]8[C@H](O)CO[C@@H](O[C@H]9[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%10[C@@H](CO)O[C@@H](O)[C@H](O[C@@H]%11O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%11O)[C@H]%10O)[C@@H]9O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@@H]8O)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1
InChIKey
InChIKey=XTDZSVGTXDVYON-WRKDTAHUSA-N
Formula
C66H108O35
Mass
1461.555
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
Steroids and steroid derivatives
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Subclass
Steroidal glycosides
- Level 5 Steroidal saponins
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Subclass
Steroidal glycosides
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroidal glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Steroidal saponins
Alternative Parents
Triterpenoids Spirostanes and derivatives Oligosaccharides Hydroxysteroids O-glycosyl compounds Ketals Oxanes Tetrahydrofurans Cyclic alcohols and derivatives Hemiacetals Secondary alcohols Dialkyl ethers Polyols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Oligosaccharide - 2-hydroxysteroid - Hydroxysteroid - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tetrahydrofuran - Cyclic alcohol - Hemiacetal - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
External Descriptors
Not available