IUPAC Name :(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
InChI :InChI=1/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1
Std.InChI: InChI=1S/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1
InChIKey :VLYLVFHVHHGXHX-SXFAUFNYBK
Std.InChIKey: VLYLVFHVHHGXHX-SXFAUFNYSA-N
SMILES :COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
Molar Refractivity :110.23 ± 0.3 cm3 (est)
Parachor :877.6 ± 6.0 cm3 (est)
Index of Refraction :1.713 ± 0.02
(est)
Surface Tension :95.3 ± 3.0 dyne/cm (est)
Density :1.695 ± 0.06 g/cm3 (est)
Polarizability :43.70 ± 0.5 10-24cm3 (est)