3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta,6alpha,23S-triol

Properties Image Occurences in reactions MNX_ID MNXM25601 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C56H92O28 charge 0 mass 1212.57751 reference lipidmapsM:LMST01080069 InChIKey BYBHDVRWAIHRJO-WTAJXWPRSA-N InChI InChI=1S/C56H92O28/c1-19-10-33(62)56(74-17-19)20(2)34-29(84-56)13-25-23-12-27(60)26-11-22(6-8-54(26,4)24(23)7-9-55(25,34)5)76-51-43(71)40(68)45(32(16-59)79-51)80-53-48(47(38(66)31(15-58)78-53)82-49-41(69)36(64)28(61)18-73-49)83-52-44(72)46(37(65)30(14-57)77-52)81-50-42(70)39(67)35(63)21(3)75-50/h19-53,57-72H,6-18H2,1-5H3/t19-,20?,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+,56+/m1/s1 SMILES CC1O[C@@H](O[C@@H]2C(O)[C@H](OC3[C@H](O[C@H]4C(CO)O[C@@H](O[C@H]5CC[C@@]6(C)[C@H](C5)[C@@H](O)C[C@H]5[C@@H]7C[C@@H]8O[C@@]9(OC[C@H](C)CC9O)C(C)[C@@H]8[C@@]7(C)CC[C@@H]56)C(O)[C@H]4O)OC(CO)[C@@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)C3O)OC(CO)[C@H]2O)[C@@H](O)C(O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph