Chembl4850395

Structural Information

Molecular Formula

C₅₆H₉₀O₂₆

SMILES

CC(=O)OC[C@@]12[C@@H](CC([C@H]([C@@H]1O)OC(=O)C)(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3([C@H]([C@H]2O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)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)O)O)C

InChI

InChI=1S/C56H90O26/c1-22(59)75-21-56-25(16-51(3,4)46(45(56)72)76-23(2)60)24-10-11-31-53(7)14-13-32(52(5,6)30(53)12-15-54(31,8)55(24,9)43(70)44(56)71)80-49-41(82-48-40(69)37(66)34(63)27(17-57)77-48)36(65)29(20-74-49)79-50-42(38(67)35(64)28(18-58)78-50)81-47-39(68)33(62)26(61)19-73-47/h10,25-50,57-58,61-72H,11-21H2,1-9H3/t25-,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-,53-,54+,55-,56-/m0/s1

InChIKey

TYPGPDWXCCFLGR-IXMUVPBWSA-N

Compound name

[(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-acetyloxy-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate

Related CIDs

• CID 164617820