3',5-Dihydroxy-7-(β-D-glucopyranosyloxy)-4'-methoxyflavone

Catalog	BBC20126594
CAS	20126-59-4
Structure
Synonyms	Diosmetol 7-glucoside
IUPAC Name	5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	462.4
Molecular Formula	C22H22O11
Canonical SMILES	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI	InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChI Key	WKUHPOMCLBLCOV-MIUGBVLSSA-N
Boiling Point	803.6±65.0 °C
Melting Point	253-255 °C
Purity	98%
Density	1.609 g/ml
Appearance	Powder
pKa	6.10±0.40