madecassoside

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InChI :InChI=1/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3
Std.InChI: InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3
InChIKey :BNMGUJRJUUDLHW-UHFFFAOYAH
Std.InChIKey: BNMGUJRJUUDLHW-UHFFFAOYSA-N
SMILES :O=C(OC3OC(COC2OC(C(OC1OC(C)C(O)C(O)C1O)C(O)C2O)CO)C(O)C(O)C3O)C86C(/C5=C/CC4C7(C)CC(O)C(O)C(CO)(C)C7C(O)CC4(C)C5(C)CC6)C(C)C(C)CC8
MDL: MFCD00017380
Molar Refractivity :237.71 ± 0.4 cm3 (est)
Parachor :1984.1 ± 6.0 cm3 (est)
Index of Refraction :1.637 ± 0.03 (est)
Surface Tension :80.7 ± 5.0 dyne/cm (est)
Density :1.47 ± 0.1 g/cm3 (est)
Polarizability :94.23 ± 0.5 10-24cm3 (est)