IUPAC Name :[(2R,3R)-8-[[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChI :InChI=1/C45H36O22/c46-22-12-24(48)20-10-34(64-44(62)16-5-30(54)38(60)31(55)6-16)40(14-1-26(50)36(58)27(51)2-14)66-42(20)18(22)9-19-23(47)13-25(49)21-11-35(65-45(63)17-7-32(56)39(61)33(57)8-17)41(67-43(19)21)15-3-28(52)37(59)29(53)4-15/h1-8,12-13,34-35,40-41,46-61H,9-11H2/t34-,35-,40-,41-/m1/s1
Std.InChI: InChI=1S/C45H36O22/c46-22-12-24(48)20-10-34(64-44(62)16-5-30(54)38(60)31(55)6-16)40(14-1-26(50)36(58)27(51)2-14)66-42(20)18(22)9-19-23(47)13-25(49)21-11-35(65-45(63)17-7-32(56)39(61)33(57)8-17)41(67-43(19)21)15-3-28(52)37(59)29(53)4-15/h1-8,12-13,34-35,40-41,46-61H,9-11H2/t34-,35-,40-,41-/m1/s1
InChIKey :BJFGFQSYHAXQPO-NBNGAXDABS
Std.InChIKey: BJFGFQSYHAXQPO-NBNGAXDASA-N
SMILES :C1[C@H]([C@H](OC2=C1C(=CC(=C2CC3=C(C=C(C4=C3O[C@@H]([C@@H](C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
Molar Refractivity :219.44 ± 0.4 cm3 (est)
Parachor :1694.3 ± 6.0 cm3 (est)
Index of Refraction :1.938 ± 0.03
(est)
Surface Tension :187.2 ± 5.0 dyne/cm (est)
Density :2.02 ± 0.1 g/cm3 (est)
Polarizability :86.99 ± 0.5 10-24cm3 (est)