CYANIDIN 3-SAMBUBIOSIDE-5-GLUCOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H39O20.Cl
Molecular Weight	779.093
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYANIDIN 3-SAMBUBIOSIDE-5-GLUCOSIDE

Structure Search

SMILES

[Cl-].[H][C@@]6(O[C@H]1[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C5=CC(O)=C(O)C=C5)O[C@H](CO)[C@@H](O)[C@@H]1O)OC[C@@H](O)[C@H](O)[C@H]6O

InChI

InChIKey=UFUFUUOWFABDAK-JTEBGWLPSA-N

InChI=1S/C32H38O20.ClH/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30;/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37);1H/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C32H38O20
Molecular Weight	742.6321
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:20:33 GMT 2023` Edited by `admin` on `Sat Dec 16 15:20:33 GMT 2023`
Record UNII	M94D257QL1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYANIDIN 3-SAMBUBIOSIDE-5-GLUCOSIDE

Common Name

English

3-O-SAMBUBIOSYL-5-O-GLUCOSYL CYANIDIN

Common Name

English

1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE

Systematic Name

English

CYANIDIN 3-(2-O-XYLOSYLGLUCOSIDE)-5-O-GLUCOSIDE

Systematic Name

English

1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

15126290

Created by admin on Sat Dec 16 15:20:33 GMT 2023 , Edited by admin on Sat Dec 16 15:20:33 GMT 2023

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CAS

53925-33-0

Created by admin on Sat Dec 16 15:20:33 GMT 2023 , Edited by admin on Sat Dec 16 15:20:33 GMT 2023

PRIMARY

FDA UNII

M94D257QL1

Created by admin on Sat Dec 16 15:20:33 GMT 2023 , Edited by admin on Sat Dec 16 15:20:33 GMT 2023

PRIMARY