jujuboside A

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InChI :InChI=1/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51?,52-,54-,55+,56-,57?,58-/m0/s1
Std.InChI: InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51?,52-,54-,55+,56-,57?,58-/m0/s1
InChIKey :KVKRFLVYJLIZFD-LQRLABOEBC
Std.InChIKey: KVKRFLVYJLIZFD-LQRLABOESA-N
SMILES :O[C@@H]%11[C@@H](O)[C@H](O)CO[C@H]%11O[C@@H]9[C@@H](O)[C@H](O)[C@H](O[C@H]9O[C@H]8[C@@H](O)COC(O[C@@H]2C(C)(C)[C@@H]3CC[C@@]1(C)C46C[C@@]5(O[C@@H](\C=C(/C)C)C[C@@](O)(C)[C@@H]5[C@H]4CC[C@@H]1[C@@]3(C)CC2)OC6)[C@@H]8O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O
MDL: MFCD03427709
Molar Refractivity :289.63 ± 0.4 cm3 (est)
Parachor :2414.3 ± 6.0 cm3 (est)
Index of Refraction :1.639 ± 0.03 (est)
Surface Tension :81.3 ± 5.0 dyne/cm (est)
Density :1.50 ± 0.1 g/cm3 (est)
Polarizability :114.82 ± 0.5 10-24cm3 (est)