foeniculoside III

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
InChI :InChI=1/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-34-17-28(16-32(60)18-34)42-43-36(20-35(69-54-50(67)48(65)46(63)40(23-56)73-54)21-38(43)71-51(42)25-5-11-30(58)12-6-25)44-41-27(4-1-24-2-9-29(57)10-3-24)15-33(61)19-37(41)70-52(44)26-7-13-31(59)14-8-26/h1-21,39-40,42,44-67H,22-23H2/b4-1+
Std.InChI: InChI=1S/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-34-17-28(16-32(60)18-34)42-43-36(20-35(69-54-50(67)48(65)46(63)40(23-56)73-54)21-38(43)71-51(42)25-5-11-30(58)12-6-25)44-41-27(4-1-24-2-9-29(57)10-3-24)15-33(61)19-37(41)70-52(44)26-7-13-31(59)14-8-26/h1-21,39-40,42,44-67H,22-23H2/b4-1+
InChIKey :VAKPECSFQPSYGO-DAFODLJHBC
Std.InChIKey: VAKPECSFQPSYGO-DAFODLJHSA-N
SMILES :C1=CC(=CC=C1/C=C/C2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)OC7C(C(C(C(O7)CO)O)O)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)OC1C(C(C(C(O1)CO)O)O)O)O)O
Molar Refractivity :260.58 ± 0.3 cm3 (est)
Parachor :1931.9 ± 4.0 cm3 (est)
Index of Refraction :1.755 ± 0.02 (est)
Surface Tension :85.1 ± 3.0 dyne/cm (est)
Density :1.580 ± 0.06 g/cm3 (est)
Polarizability :103.30 ± 0.5 10-24cm3 (est)