Cucumarioside

Structural Information

Molecular Formula

C₅₉H₉₂O₂₉S

SMILES

CC1[C@H](C([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](COC2OC3CCC4(C5CCC67C(C5=CCC4C3(C)C)CC(=O)C6C(OC7=O)(C)CCCC(=C)C)C)OS(=O)(=O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O

InChI

InChI=1S/C59H92O29S/c1-24(2)10-9-15-58(7)50-29(62)18-28-26-11-12-35-56(4,5)36(14-16-57(35,6)27(26)13-17-59(28,50)55(72)87-58)83-53-48(41(68)34(23-79-53)88-89(73,74)75)86-54-49(85-51-42(69)37(64)30(63)21-78-51)43(70)45(25(3)80-54)84-52-44(71)47(39(66)32(20-61)82-52)77-22-33-40(67)46(76-8)38(65)31(19-60)81-33/h11,25,27-28,30-54,60-61,63-71H,1,9-10,12-23H2,2-8H3,(H,73,74,75)/t25?,27?,28?,30-,31-,32-,33+,34-,35?,36?,37+,38-,39-,40+,41+,42-,43?,44-,45-,46+,47+,48-,49-,50?,51+,52+,53?,54+,57?,58?,59?/m1/s1

InChIKey

COZADUYFBCGTNE-OEMIXPMESA-N

Compound name

[(3R,4R,5R)-5-[(2S,3R,5S)-5-[(2S,3R,4S,5R,6R)-4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[6,13,17,17-tetramethyl-6-(4-methylpent-4-enyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]oxan-3-yl] hydrogen sulfate

Related CIDs

• CID 3085992