IUPAC Name :5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI :InChI=1/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
Std.InChI: InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
InChIKey :CQLRUIIRRZYHHS-LFXZADKFBH
Std.InChIKey: CQLRUIIRRZYHHS-LFXZADKFSA-N
SMILES :COc1cc(ccc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molar Refractivity :110.82 ± 0.4 cm3 (est)
Parachor :885.7 ± 6.0 cm3 (est)
Index of Refraction :1.750 ± 0.03
(est)
Surface Tension :112.4 ± 5.0 dyne/cm (est)
Density :1.75 ± 0.1 g/cm3 (est)
Polarizability :43.93 ± 0.5 10-24cm3 (est)