Peonidin-3-glucoside

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

Also Known As: Peonidin-3-glucoside|Oxycoccicyanin|Peonidin 3-O-glucoside|Petunidin 3-glucoside|peonidin 3-O-beta-D-glucoside|Peonidin 3-beta-D-glucoside|Peonidin 3-O-glucoside (chloride)|3'-O-methylcyanidin 3-O-beta-D-glucoside|(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|3'-Methoxy-4',5,7-trihydroxy-3-(beta-D-glucopyranosyloxy)anthocyanidin|1-Benzopyrylium, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-|3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium|5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-1-ium-3-yl beta-D-glucopyranoside|5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-1-ium-3-yl hexopyranoside|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl beta-D-glucopyranoside|(2S,3S,4R,5S,6R)-2-(Hydroxymethyl)-6-(2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromenylium-3-yl)oxy-oxane-3,4,5-triol|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1$l^{4}-chromen-1-ylium|5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-benzopyran-1-ylium

Molecular Formula	C22H23O11+
Molecular Weight	463.12402 g/mol
LogP	0.685
Topological Polar Surface Area	170.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	463.12402
Monoisotopic Mass	463.12402
Heavy Atoms	33
Complexity	637.0

Chemical Identifiers

CAS Number	6906-39-4
SMILES	COC1=C(C=CC(=C1)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)O
InChIKey	ZZWPMFROUHHAKY-OUUKCGNVSA-O