Delphinidin 3-O-glucoside cation

(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: Delphinidin 3-glucoside|Delphinidin 3-O-glucoside|Mirtillin|Myrtillin|Myrtillin A|delphidin-3-glucoside|Delphinidin 3-O-glucoside cation|delphinidin 3-O-beta-glucoside|delphinidin-3-glycoside|Delphinidol 3-glucoside|Delphinidin 3-O-beta-D-glucoside|Delphinidin-3-O-glucoside|2-Phenylselenocyclopentanon|Delphinidin 3-monoglucoside|DELPHINIDIN-3-GLUCOSIDE|Delphinidin 3-O-|A-D-glucoside|Delphinidin 3-O-|A-glucoside|delfinidin 3-O-beta-D-glucoside|delphinidin-3-O-beta-D-glucoside|Delphinidin 3-glucoside (chloride)|Delphinidin 3-O-beta-D-glucopyranoside|TN8705|C21H21O12+|DELPHINIDIN 3-O-GLUCOSIDE [WHO-DD]|4159B|(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|1-Benzopyrylium, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-|B2703-335041|5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl beta-D-glucopyranoside|1-Benzopyrylium, 3-(|A-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-|5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-3-yl beta-D-glucopyranoside|(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|N/A

Molecular Formula	C21H21O12+
Molecular Weight	465.1033 g/mol
LogP	0.0876
Topological Polar Surface Area	202.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	465.1033
Monoisotopic Mass	465.1033
Heavy Atoms	33
Complexity	641.0

Chemical Identifiers

CAS Number	6906-38-3
SMILES	C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChIKey	XENHPQQLDPAYIJ-PEVLUNPASA-O