 Home > Encyclopedia > (3β,5β,16β)-16-(Acetyloxy)-3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

(3β,5β,16β)-16-(Acetyloxy)-3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

(3β,5β,16β)-16-(Acetyloxy)-3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide structure

CAS No:
7242-07-1
Formula:
C43H66O15
Chemical Name:
(3β,5β,16β)-16-(Acetyloxy)-3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
Synonyms:
Card-20(22)-enolide,16-(acetyloxy)-3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3β,5β,16β)-;Gitoxin,16-acetate;(3β,5β,16β)-16-(Acetyloxy)-3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide;16-Acetylgitoxin;Gitoxin 16β-acetate;Gitoxigenin tridigitoxoside-16-acetate;16447-37-3
Categories:
Biochemical Engineering > Saccharides

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Description

ChEBI: A cardenolide glycoside that is the 16-acetate of gitoxin.

(3β,5β,16β)-16-(Acetyloxy)-3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide Basic Attributes

Molecular Weight：

822.98

Exact Mass：

822.98

EC Number：

230-646-0

Characteristics

PSA：

209

Density：

1.1139 (rough estimate)

Melting Point：

227-230 °C @ Solvent: Water, Methanol

Toxicity：

Oral-guinea pig LD50: 2.5 mg/kg; Abdominal cavity-mouse LD50: 6.8 mg/kg

Flammability characteristics：

Flammable; decomposes by heating to release irritating fumes

Safety Information

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

most toxic

Drug Information

MeSH Entry Terms：

16-acetyl-gitoxin

Computed Properties

Molecular Weight:823.0
XLogP3:2.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:822.44017139
Monoisotopic Mass:822.44017139
Topological Polar Surface Area:209
Heavy Atom Count:58
Complexity:1560
Undefined Atom Stereocenter Count:21
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3β,5β,16β)-16-(Acetyloxy)-3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties
Learn More Other Chemicals

(3β,5β,16β)-16-(Acetyloxy)-3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

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