cucurbitacin K 2-O-beta-D-glucopyranoside

Properties Image Occurences in reactions MNX_ID MNXM104114 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C36H54O13 charge 0 mass 694.35644 reference chebi:68912 InChIKey XPEAYHKXEWXAKV-JYUIKDNMSA-N InChI InChI=1S/C36H54O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,11,17-18,20-22,25-28,30,37-39,42-44,46-47H,10,12-15H2,1-8H3/t17-,18-,20-,21+,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1 SMILES CC1(C)C(=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2C1=CC[C@H]1[C@]3(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)C[C@H](O)C(C)(C)O)[C@@]3(C)CC(=O)[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph