3-O-(Xylb1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol

Properties Image Occurences in reactions MNX_ID MNXM30017 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C55H90O27 charge 0 mass 1182.56695 reference lipidmapsM:LMST01080075 InChIKey AVKYSHKLTCPPBD-CVOVIQNDSA-N InChI InChI=1S/C55H90O27/c1-20-11-33(61)55(73-17-20)21(2)34-29(82-55)13-26-24-6-5-22-12-23(7-9-53(22,3)25(24)8-10-54(26,34)4)74-50-42(69)39(66)44(32(16-58)77-50)78-52-47(46(38(65)31(15-57)76-52)80-49-41(68)36(63)28(60)19-72-49)81-51-43(70)45(37(64)30(14-56)75-51)79-48-40(67)35(62)27(59)18-71-48/h20-52,56-70H,5-19H2,1-4H3/t20-,21?,22+,23+,24-,25+,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-,51+,52+,53+,54+,55+/m1/s1 SMILES CC1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6OC(CO)[C@H](O[C@@H]7OC(CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)C8O)C7O[C@@H]7OC(CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)C8O)C7O)[C@H](O)C6O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12OC[C@H](C)CC2O

Parent-child relations graph

Deprecated MNXref IDs graph