U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C47H74O18
Molecular Weight 927.0797
Optical Activity UNSPECIFIED
Defined Stereocenters 25 / 25
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Glucodigitoxin

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@@H](C2)O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O[C@H]8C[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6

InChI

InChIKey=BZJBLHNKKRCQEQ-ZFCLPHBQSA-N
InChI=1S/C47H74O18/c1-21-41(63-36-17-31(50)42(22(2)59-36)64-37-18-32(51)43(23(3)60-37)65-44-40(55)39(54)38(53)33(19-48)62-44)30(49)16-35(58-21)61-26-8-11-45(4)25(15-26)6-7-29-28(45)9-12-46(5)27(10-13-47(29,46)56)24-14-34(52)57-20-24/h14,21-23,25-33,35-44,48-51,53-56H,6-13,15-20H2,1-5H3/t21-,22-,23-,25-,26+,27-,28+,29-,30+,31+,32+,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46-,47+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Glucodigitoxin
Common Name English
(3β,5β)-3-[(O-β-D-Glucopyranosyl-(1→4)-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
Systematic Name English
Purpurea glycoside A
Common Name English
Desacetyldigilanide A
Common Name English
Deslanoside A
Common Name English
Purpureaglycoside A
Common Name English
Card-20(22)-enolide, 3-[(O-β-D-glucopyranosyl-(1→4)-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)-
Systematic Name English
D-ribo-Hexopyranoside, digitoxigenin-3 O-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-, β-
Systematic Name English
Deacetyllanatoside A
Common Name English
Code System Code Type Description
FDA UNII
L9D69XZ4TF
Created by admin on Sat Dec 16 19:28:43 GMT 2023 , Edited by admin on Sat Dec 16 19:28:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID201315399
Created by admin on Sat Dec 16 19:28:43 GMT 2023 , Edited by admin on Sat Dec 16 19:28:43 GMT 2023
PRIMARY
CAS
19855-40-4
Created by admin on Sat Dec 16 19:28:43 GMT 2023 , Edited by admin on Sat Dec 16 19:28:43 GMT 2023
PRIMARY
PUBCHEM
13178063
Created by admin on Sat Dec 16 19:28:43 GMT 2023 , Edited by admin on Sat Dec 16 19:28:43 GMT 2023
PRIMARY