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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32O13
Molecular Weight 564.5352
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CASCAROSIDE D

SMILES

[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2([H])C3=C(C(=O)C4=C2C=C(C)C=C4O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC=C3

InChI

InChIKey=GQPFUOPPYJYZHE-OPEXUXIQSA-N
InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CASCAROSIDE D
Common Name English
CASCAROSIDE D (CONSTITUENT OF CASCARA SAGRADA) [DSC]
Common Name English
(1S)-1,5-ANHYDRO-1-((9S)-5-(.BETA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXY-2-(HYDROXYMETHYL)-10-OXO-9,10-DIHYDRO-9-ANTHRACENYL)-D-GLUCITOL
Systematic Name English
Code System Code Type Description
PUBCHEM
46173831
Created by admin on Sat Dec 16 08:32:10 GMT 2023 , Edited by admin on Sat Dec 16 08:32:10 GMT 2023
PRIMARY
CAS
53861-35-1
Created by admin on Sat Dec 16 08:32:10 GMT 2023 , Edited by admin on Sat Dec 16 08:32:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID00202123
Created by admin on Sat Dec 16 08:32:10 GMT 2023 , Edited by admin on Sat Dec 16 08:32:10 GMT 2023
PRIMARY
FDA UNII
H1745HQ16C
Created by admin on Sat Dec 16 08:32:10 GMT 2023 , Edited by admin on Sat Dec 16 08:32:10 GMT 2023
PRIMARY