GLUCOFRANGULIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28O14
Molecular Weight	564.4921
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(O)=C2C(=O)C3=C(C=C(O[C@]4(O)COC[C@]4(O)CO)C=C3O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C2=C1

InChI

InChIKey=SOAOUDVXSAIAHD-XXLFKDOXSA-N

InChI=1S/C26H28O14/c1-10-2-12-17(14(29)3-10)21(32)18-13(19(12)30)4-11(40-26(36)9-37-8-25(26,35)7-28)5-15(18)38-24-23(34)22(33)20(31)16(6-27)39-24/h2-5,16,20,22-24,27-29,31,33-36H,6-9H2,1H3/t16-,20-,22+,23-,24-,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H28O14
Molecular Weight	564.4921
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:16:52 GMT 2023` Edited by `admin` on `Fri Dec 15 20:16:52 GMT 2023`
Record UNII	45K8JI0W31
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GLUCOFRANGULIN B

Common Name

English

3-(D-APIO-.BETA.-D-FURANOSYLOXY)-1-(.BETA.-D-GLUCOPYRANOSYLOXY)-8-HYDROXY-6-METHYLANTHRAQUINONE

Common Name

English

9,10-ANTHRACENEDIONE, 3-(D-APIO-.BETA.-D-FURANOSYLOXY)-1-(.BETA.-D-GLUCOPYRANOSYLOXY)-8-HYDROXY-6-METHYL-

Common Name

English

Code System Code Type Description

FDA UNII

45K8JI0W31