soyasapogenol E-23-O-beta-D-glucoside

Properties Image Occurences in reactions MNX_ID MNXM82513 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C36H58O8 charge 0 mass 618.41317 reference metacycM:CPD-9493 InChIKey ORBKYZVAOYYRJD-JPNGUODHSA-N InChI InChI=1S/C36H58O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-25(38)34(5,19-43-30-29(42)28(41)27(40)22(18-37)44-30)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)26(39)17-31/h8,21-25,27-30,37-38,40-42H,9-19H2,1-7H3/t21-,22+,23+,24+,25-,27+,28-,29+,30+,32+,33-,34+,35+,36+/m0/s1 SMILES CC1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph