IUPAC Name :2-methoxycarbonyl-6-oxo-3-[2,3,4-trihydroxy-6-[4-hydroxy-6-(hydroxymethyl)-2-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxycarbonylphenyl]oxane-4-carboxylic acid
InChI :InChI=1/C28H28O19/c1-43-27(42)23-18(10(24(38)39)6-16(34)45-23)17-11(5-14(32)20(36)21(17)37)26(41)46-22-15(33)4-9(7-29)44-28(22)47-25(40)8-2-12(30)19(35)13(31)3-8/h2-3,5,9-10,15,18,22-23,28-33,35-37H,4,6-7H2,1H3,(H,38,39)
Std.InChI: InChI=1S/C28H28O19/c1-43-27(42)23-18(10(24(38)39)6-16(34)45-23)17-11(5-14(32)20(36)21(17)37)26(41)46-22-15(33)4-9(7-29)44-28(22)47-25(40)8-2-12(30)19(35)13(31)3-8/h2-3,5,9-10,15,18,22-23,28-33,35-37H,4,6-7H2,1H3,(H,38,39)
InChIKey :JJQWPDOBJQPJCS-UHFFFAOYAT
Std.InChIKey: JJQWPDOBJQPJCS-UHFFFAOYSA-N
SMILES :COC(=O)C1C(C(CC(=O)O1)C(=O)O)C2=C(C(=C(C=C2C(=O)OC3C(CC(OC3OC(=O)C4=CC(=C(C(=C4)O)O)O)CO)O)O)O)O
Molar Refractivity :144.37 ± 0.4 cm3 (est)
Parachor :1213.4 ± 6.0 cm3 (est)
Index of Refraction :1.726 ± 0.03
(est)
Surface Tension :124.9 ± 5.0 dyne/cm (est)
Density :1.84 ± 0.1 g/cm3 (est)
Polarizability :57.23 ± 0.5 10-24cm3 (est)