Pelargonin

(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: Pelargonin|Monardin|Punicin|Pelargonin?|Salvinin?|Pelargonin (VAN)|Pelargonin (glycoside)|Pelargonidin 3,5-diglucoside|Pelargonin 3,5-diglycoside|Pelargonidin 3,5-O-diglucoside|Pelargonidin-3,5-diglucoside|pelargonidin-3,5-diglycoside|Pelargonidin 3,5-di-beta-D-glucoside|pelargonidin-3,5-O-diglucoside|N-(3,5-Dichlorophenyl)maleimide|pelargonidin 3,5-di-O-glycoside|Pelargonidin-3,5-di-O-diglucoside|EINECS 241-360-0|PELARGONIDINE-3-RHAMOGLUCOSIDE|Pelargonidin 3,5-di-beta-D-glucopyranoside|Pelargonidin, 3,5-di-beta-D-glucopyranoside|Glucopyranoside, pelargonidin-3,5 di-, beta-D-|3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium|3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride|(2S,3R,4S,5S,6R)-2-(7-hydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromenylium-5-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2S,4S,5S)-2-(7-hydroxy-2-(4-hydroxyphenyl)-3-((2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromenylium-5-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol|1-Benzopyrylium, 3,5-bis(.beta.-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-, chloride

Molecular Formula	C27H31O15+
Molecular Weight	595.1663 g/mol
LogP	-1.8505
Topological Polar Surface Area	240.0 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	595.1663
Monoisotopic Mass	595.1663
Heavy Atoms	42
Complexity	859.0

Chemical Identifiers

CAS Number	58751-31-8
SMILES	C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChIKey	SLCKJKWFULXZBD-ZOTFFYTFSA-O