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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32O14
Molecular Weight 580.5346
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CASCAROSIDE A

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(CO)C=C4O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC=C3

InChI

InChIKey=MNAYRSRTNMVAPR-ZHVWOXMGSA-N
InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CASCAROSIDE A
Common Name English
9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-8-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-HYDROXY-3-(HYDROXYMETHYL)-, (10S)-
Common Name English
CASCAROSIDE A (CONSTITUENT OF CASCARA SAGRADA) [DSC]
Common Name English
Classification Tree Code System Code
DSLD 4200 (Number of products:1)
Created by admin on Fri Dec 15 18:10:55 GMT 2023 , Edited by admin on Fri Dec 15 18:10:55 GMT 2023
Code System Code Type Description
PUBCHEM
442727
Created by admin on Fri Dec 15 18:10:55 GMT 2023 , Edited by admin on Fri Dec 15 18:10:55 GMT 2023
PRIMARY
CAS
53823-08-8
Created by admin on Fri Dec 15 18:10:55 GMT 2023 , Edited by admin on Fri Dec 15 18:10:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID40202107
Created by admin on Fri Dec 15 18:10:55 GMT 2023 , Edited by admin on Fri Dec 15 18:10:55 GMT 2023
PRIMARY
FDA UNII
AI50I7OZY7
Created by admin on Fri Dec 15 18:10:55 GMT 2023 , Edited by admin on Fri Dec 15 18:10:55 GMT 2023
PRIMARY