CASCAROSIDE A

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 Search

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

Molecular Formula	C27H32O14
Molecular Weight	580.5346
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:10:55 UTC 2023` Edited by `admin` on `Fri Dec 15 18:10:55 UTC 2023`
Record UNII	AI50I7OZY7
Record Status	`Validated (UNII)`
Record Version

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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)