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

Details

Stereochemistry ABSOLUTE
Molecular Formula C47H74O19
Molecular Weight 943.0791
Optical Activity UNSPECIFIED
Defined Stereocenters 26 / 26
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Glucogitoxin

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@@H](O)C[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=GUXZNBKFWVYHTD-BSRJTRJGSA-N
InChI=1S/C47H74O19/c1-20-41(64-35-15-29(50)42(21(2)60-35)65-36-16-30(51)43(22(3)61-36)66-44-40(56)39(55)38(54)32(18-48)63-44)28(49)14-34(59-20)62-25-8-10-45(4)24(13-25)6-7-27-26(45)9-11-46(5)37(23-12-33(53)58-19-23)31(52)17-47(27,46)57/h12,20-22,24-32,34-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26+,27-,28+,29+,30+,31+,32-,34+,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46-,47+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Glucogitoxin
Common Name English
Purpurea B
Common Name English
Purpureaglycoside B
Common Name English
Deacetyllanatoside B
Common Name English
Purpurea glycoside B
Common Name English
Desacetyldigilanide B
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]-14,16-dihydroxy-
Systematic Name English
Deslanoside B
Common Name English
(3β,5β,16β)-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]-14,16-dihydroxycard-20(22)-enolide
Systematic Name English
Desacetyl digilanide
Common Name English
Lanatoside B, deacetyl-
Common Name English
Code System Code Type Description
CAS
19855-39-1
Created by admin on Sat Dec 16 19:28:44 GMT 2023 , Edited by admin on Sat Dec 16 19:28:44 GMT 2023
PRIMARY
PUBCHEM
13690054
Created by admin on Sat Dec 16 19:28:44 GMT 2023 , Edited by admin on Sat Dec 16 19:28:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID501319069
Created by admin on Sat Dec 16 19:28:44 GMT 2023 , Edited by admin on Sat Dec 16 19:28:44 GMT 2023
PRIMARY
FDA UNII
3886JX8V4C
Created by admin on Sat Dec 16 19:28:44 GMT 2023 , Edited by admin on Sat Dec 16 19:28:44 GMT 2023
PRIMARY