Glucogitoxin

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 Search

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

Molecular Formula	C47H74O19
Molecular Weight	943.0791
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	26 / 26
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:28:44 GMT 2023` Edited by `admin` on `Sat Dec 16 19:28:44 GMT 2023`
Record UNII	3886JX8V4C
Record Status	`Validated (UNII)`
Record Version

Download

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