2''-O-Galloylquercitrin

CAS	80229-08-9
Synonyms	4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-(3,4,5-trihydroxybenzoyl)-α-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
IUPAC Name	[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
Molecular Weight	600.49
Molecular Formula	C28H24O15
Canonical SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O
InChI	InChI=1S/C28H24O15/c1-9-20(35)23(38)26(42-27(39)11-5-16(33)21(36)17(34)6-11)28(40-9)43-25-22(37)19-15(32)7-12(29)8-18(19)41-24(25)10-2-3-13(30)14(31)4-10/h2-9,20,23,26,28-36,38H,1H3/t9-,20-,23+,26+,28-/m0/s1
InChI Key	KTTNFIOZYNBKEY-YIOJSCHVSA-N
Boiling Point	1053.5±65.0 °C
Purity	98%
Density	1.87±0.1 g/ml
pKa	6.17±0.40
Appearance	Solid