Isorhamnetin 3-gentiobioside

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H32O17
Molecular Weight	640.5435
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Isorhamnetin 3-gentiobioside

Structure Search

SMILES

COC1=C(O)C=CC(=C1)C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C5=C(O)C=C(O)C=C5O2

InChI

InChIKey=GPZLFWVUSQREQH-QDYVESOYSA-N

InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)31)25-26(20(35)17-12(32)5-10(30)6-14(17)42-25)45-28-24(39)22(37)19(34)16(44-28)8-41-27-23(38)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H32O17
Molecular Weight	640.5435
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:30:23 GMT 2023` Edited by `admin` on `Sat Dec 16 10:30:23 GMT 2023`
Record UNII	5X4V9DGC6L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Isorhamnetin 3-gentiobioside

Common Name

English

Astragaloside

Common Name

English

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one

Systematic Name

English

4H-1-Benzopyran-4-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

Systematic Name

English

Isorhamnetin 3-O-gentiobioside

Common Name

English

3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one

Systematic Name

English

Code System Code Type Description

CAS

17429-69-5

Created by admin on Sat Dec 16 10:30:23 GMT 2023 , Edited by admin on Sat Dec 16 10:30:23 GMT 2023

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EPA CompTox

DTXSID30169811

Created by admin on Sat Dec 16 10:30:23 GMT 2023 , Edited by admin on Sat Dec 16 10:30:23 GMT 2023

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FDA UNII

5X4V9DGC6L

Created by admin on Sat Dec 16 10:30:23 GMT 2023 , Edited by admin on Sat Dec 16 10:30:23 GMT 2023

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PUBCHEM

5488387

Created by admin on Sat Dec 16 10:30:23 GMT 2023 , Edited by admin on Sat Dec 16 10:30:23 GMT 2023

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