Calycosin 7-O-glucoside

CAS	20633-67-4
Synonyms	3',7-Dihydroxy-4'-methoxyisoflavone-7-beta-D-glucopyranoside
IUPAC Name	3-(3-Hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	446.4
Molecular Formula	C22H22O10
Canonical SMILES	COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI	InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChI Key	WACBUPFEGWUGPB-MIUGBVLSSA-N
Boiling Point	745.2±60.0 °C
Melting Point	220-228 °C
Purity	98%
Density	1.545 g/ml
pKa	9.48±0.10
Appearance	Powder