3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one

Properties Image Occurences in reactions MNX_ID MNXM103803 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C55H82O22 charge 0 mass 1094.52977 reference chebi:65620 InChIKey FLAULGUSZSPUPV-FDKPUIKUSA-N InChI InChI=1S/C55H82O22/c1-25(2)10-13-34(58)26(3)55(66)40(21-33-31-12-11-29-20-30(14-16-53(29,5)32(31)15-17-54(33,55)6)73-50-44(64)43(63)42(62)39(22-56)74-50)75-52-48(72-27(4)57)45(36(60)24-71-52)77-51-47(41(61)35(59)23-70-51)76-49(65)28-18-37(67-7)46(69-9)38(19-28)68-8/h11,18-19,25-26,30-33,35-36,39-45,47-48,50-52,56,59-64,66H,10,12-17,20-24H2,1-9H3/t26-,30-,31+,32-,33-,35+,36-,39+,40-,41-,42+,43-,44+,45-,47+,48+,50+,51-,52-,53-,54-,55+/m0/s1 SMILES COc1cc(C(=O)O[C@H]2[C@H](O[C@H]3[C@@H](O)CO[C@@H](O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@@]4(O)[C@@H](C)C(=O)CCC(C)C)[C@@H]3OC(C)=O)OC[C@@H](O)[C@@H]2O)cc(OC)c1OC

Parent-child relations graph

Deprecated MNXref IDs graph