IUPAC Name :[(2R,3R)-5,7-dihydroxy-6-[(1S,2R)-2-(3,4,5-trihydroxybenzoyl)oxy-1,3-bis(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/c45-20-13-31-19(12-33(42(64-31)16-6-25(50)39(59)26(51)7-16)66-44(63)18-10-29(54)41(61)30(55)11-18)36(56)35(20)34(15-4-23(48)38(58)24(49)5-15)32(3-14-1-21(46)37(57)22(47)2-14)65-43(62)17-8-27(52)40(60)28(53)9-17/h1-2,4-11,13,32-34,42,45-61H,3,12H2/t32-,33-,34-,42-/m1/s1
Std.InChI: InChI=1S/C44H36O22/c45-20-13-31-19(12-33(42(64-31)16-6-25(50)39(59)26(51)7-16)66-44(63)18-10-29(54)41(61)30(55)11-18)36(56)35(20)34(15-4-23(48)38(58)24(49)5-15)32(3-14-1-21(46)37(57)22(47)2-14)65-43(62)17-8-27(52)40(60)28(53)9-17/h1-2,4-11,13,32-34,42,45-61H,3,12H2/t32-,33-,34-,42-/m1/s1
InChIKey :CRNINXNYVJXYIX-SSVMUJQPBK
Std.InChIKey: CRNINXNYVJXYIX-SSVMUJQPSA-N
SMILES :C1[C@H]([C@H](OC2=CC(=C(C(=C21)O)[C@H](C3=CC(=C(C(=C3)O)O)O)[C@@H](CC4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)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)