CASCAROSIDE D

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 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(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

Molecular Formula	C27H32O13
Molecular Weight	564.5352
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 `Sat Dec 16 08:32:10 UTC 2023` Edited by `admin` on `Sat Dec 16 08:32:10 UTC 2023`
Record UNII	H1745HQ16C
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 08:32:10 UTC 2023

PRIMARY

CAS

53861-35-1

Created by admin on Sat Dec 16 08:32:10 UTC 2023 , Edited by admin on Sat Dec 16 08:32:10 UTC 2023

PRIMARY

EPA CompTox

DTXSID00202123

Created by admin on Sat Dec 16 08:32:10 UTC 2023 , Edited by admin on Sat Dec 16 08:32:10 UTC 2023

PRIMARY

FDA UNII

H1745HQ16C

Created by admin on Sat Dec 16 08:32:10 UTC 2023 , Edited by admin on Sat Dec 16 08:32:10 UTC 2023

PRIMARY

Related Record Type Details


					4VBP01X99F

FRANGULA PURSHIANA BARK

PARENT -> CONSTITUENT ALWAYS PRESENT


					4VBP01X99F

FRANGULA PURSHIANA BARK

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

From the dried bark of Frangula purshiana Cooper syn. Rhamnus purshiana DC.(Cascara Sagrada)