IUPAC Name :1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
InChI :InChI=1/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12-,16-,18+,19-,20+/m1/s1
Std.InChI: InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12-,16-,18+,19-,20+/m1/s1
InChIKey :HDPSXKXQSOVYLL-PQSJUMPYBL
Std.InChIKey: HDPSXKXQSOVYLL-PQSJUMPYSA-N
SMILES :COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molar Refractivity :101.71 ± 0.3 cm3 (est)
Parachor :801.5 ± 6.0 cm3 (est)
Index of Refraction :1.730 ± 0.02
(est)
Surface Tension :98.1 ± 3.0 dyne/cm (est)
Density :1.713 ± 0.06 g/cm3 (est)
Polarizability :40.32 ± 0.5 10-24cm3 (est)