IUPAC Name :[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate
InChI :InChI=1/C23H30O12/c1-23(2,32)12-5-3-10(4-6-12)20(30)33-9-15-17(27)18(28)19(29)22(34-15)35-21(31)11-7-13(24)16(26)14(25)8-11/h3,7-8,12,15,17-19,22,24-29,32H,4-6,9H2,1-2H3/t12-,15+,17+,18-,19+,22-/m0/s1
Std.InChI: InChI=1S/C23H30O12/c1-23(2,32)12-5-3-10(4-6-12)20(30)33-9-15-17(27)18(28)19(29)22(34-15)35-21(31)11-7-13(24)16(26)14(25)8-11/h3,7-8,12,15,17-19,22,24-29,32H,4-6,9H2,1-2H3/t12-,15+,17+,18-,19+,22-/m0/s1
InChIKey :GMBUWWLCKJYTTG-HAJNWZPMBI
Std.InChIKey: GMBUWWLCKJYTTG-HAJNWZPMSA-N
SMILES :CC(C)([C@@H]1CCC(=CC1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O
Molar Refractivity :117.12 ± 0.4 cm3 (est)
Parachor :978.8 ± 6.0 cm3 (est)
Index of Refraction :1.655 ± 0.03
(est)
Surface Tension :88.4 ± 5.0 dyne/cm (est)
Density :1.56 ± 0.1 g/cm3 (est)
Polarizability :46.43 ± 0.5 10-24cm3 (est)