(1'S,2S,2'R,4'R,7'R,8'S,9'R,12'R,13'R,16'R,18'R)-16'-{[(2S,3S,4S,5S,6S)-3,4-dihydroxy-5-{[(2R,3S,4R,5S,6S)-5-hydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosan]-10'-one

CAS: 179464-23-4

Formula: C50H80O23

SMILES: [H][C@@]12C[C@]3([H])[C@@]4([H])CC[C@]5([H])C[C@@H](CC[C@@]5(C)[C@]4([H])CC(=O)[C@@]3(C)[C@]1([H])[C@@H](C)[C@]1(CCC(C)CO1)O2)O[C@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O[C@H]3OC[C@H](O)C(O)[C@@H]3O)[C@@H]2O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O

IUPAC: (1'S,2S,2'R,4'R,7'R,8'S,9'R,12'R,13'R,16'R,18'R)-16'-{[(2S,3S,4S,5S,6S)-3,4-dihydroxy-5-{[(2R,3S,4R,5S,6S)-5-hydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosan]-10'-one

InChI: InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-6

Composition: C (57.24%), H (7.69%), O (35.07%)

Molar Mass: 1049.167

Atom Count: 153

Heavy Atom Count: 73