Compound Identification
SMILES
CC(CC[C@@]1(O)OC2CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)C2[C@@H]1C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](C)[C@@H](O[C@H]4O[C@H](C)[C@@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=NWIGLJAKRQEQPG-PYZRHZFPSA-N
Formula
C63H104O31
Mass
1357.494
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
Diterpene glycosides Furostanes and derivatives Oligosaccharides Hydroxysteroids Delta-5-steroids Diterpenoids Alkyl glycosides O-glycosyl compounds Oxanes Oxolanes Hemiacetals Secondary alcohols Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Diterpene glycoside - Furostane-skeleton - Oligosaccharide - 22-hydroxysteroid - Diterpenoid - Hydroxysteroid - Terpene glycoside - Delta-5-steroid - Fatty acyl glycoside - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Oxane - Fatty acyl - Oxolane - Secondary alcohol - Hemiacetal - Oxacycle - Polyol - Acetal - Organoheterocyclic compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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