IUPAC Name :[(2R,3R)-5,7-dihydroxy-8-[(1R,2R)-2-(3,4,5-trihydroxybenzoyl)oxy-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propyl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChI :InChI=1/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(64-43(62)16-5-29(54)39(60)30(55)6-16)35(14-1-25(50)37(58)26(51)2-14)36-24(49)13-23(48)20-12-34(65-44(63)17-7-31(56)40(61)32(57)8-17)41(66-42(20)36)15-3-27(52)38(59)28(53)4-15/h1-10,13,33-35,41,45-61H,11-12H2/t33-,34-,35+,41-/m1/s1
Std.InChI: InChI=1S/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(64-43(62)16-5-29(54)39(60)30(55)6-16)35(14-1-25(50)37(58)26(51)2-14)36-24(49)13-23(48)20-12-34(65-44(63)17-7-31(56)40(61)32(57)8-17)41(66-42(20)36)15-3-27(52)38(59)28(53)4-15/h1-10,13,33-35,41,45-61H,11-12H2/t33-,34-,35+,41-/m1/s1
InChIKey :SKYSKYXPHIEIOH-HGFNXMTOBB
Std.InChIKey: SKYSKYXPHIEIOH-HGFNXMTOSA-N
SMILES :C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H](C3=CC(=C(C(=C3)O)O)O)[C@@H](CC4=C(C=C(C=C4O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Molar Refractivity :216.65 ± 0.4 cm3 (est)
Parachor :1682.2 ± 6.0 cm3 (est)
Index of Refraction :1.937 ± 0.03
(est)
Surface Tension :190.7 ± 5.0 dyne/cm (est)
Density :2.02 ± 0.1 g/cm3 (est)
Polarizability :85.89 ± 0.5 10-24cm3 (est)