hoduloside IX

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
InChI :InChI=1/C52H86O22/c1-23-33(56)37(60)41(64)45(71-23)74-42-35(58)27(55)20-68-46(42)73-31-13-16-49(6)29(48(31,4)5)12-17-50(7)30(49)11-10-24-32(51(8,66)15-9-14-47(2,3)65)25(53)18-52(24,50)22-70-44-40(63)38(61)36(59)28(72-44)21-69-43-39(62)34(57)26(54)19-67-43/h9,14,23-24,26-46,54-66H,10-13,15-22H2,1-8H3/b14-9+
Std.InChI: InChI=1S/C52H86O22/c1-23-33(56)37(60)41(64)45(71-23)74-42-35(58)27(55)20-68-46(42)73-31-13-16-49(6)29(48(31,4)5)12-17-50(7)30(49)11-10-24-32(51(8,66)15-9-14-47(2,3)65)25(53)18-52(24,50)22-70-44-40(63)38(61)36(59)28(72-44)21-69-43-39(62)34(57)26(54)19-67-43/h9,14,23-24,26-46,54-66H,10-13,15-22H2,1-8H3/b14-9+
InChIKey :APVZJAWOWWMSMG-NTEUORMPBI
Std.InChIKey: APVZJAWOWWMSMG-NTEUORMPSA-N
SMILES :CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(C(=O)CC6(C5(CCC4C3(C)C)C)COC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C(C)(C/C=C/C(C)(C)O)O)C)O)O)O)O)O
Molar Refractivity :259.95 ± 0.4 cm3 (est)
Parachor :2185.1 ± 6.0 cm3 (est)
Index of Refraction :1.622 ± 0.03 (est)
Surface Tension :76.9 ± 5.0 dyne/cm (est)
Density :1.44 ± 0.1 g/cm3 (est)
Polarizability :103.05 ± 0.5 10-24cm3 (est)