hederagenin-3-O-beta-D-glucoside

Properties Image Occurences in reactions MNX_ID MNXM55960 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C36H57O9 charge -1 mass 633.40081 reference metacycM:CPD-9484 InChIKey CCDRPBGPIXPGRW-DLQTVUGOSA-M InChI InChI=1S/C36H58O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(33(4,19-38)23(32)9-12-35(24,34)6)45-29-28(41)27(40)26(39)22(18-37)44-29/h7,21-29,37-41H,8-19H2,1-6H3,(H,42,43)/p-1/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1 SMILES CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph