(3b,5a,25R)-3-Hydroxyspirostan-6-one 3-[2-acetylarabinosyl-(1->6)-glucoside]

Properties Image MNX_ID MNXM115051 reference hmdb:HMDB0041185 formula C40H62O14 global charge 0 mol weight 766.922 InChIKey LYOWCAVVHJOCKI-UHFFFAOYSA-N InChI InChI=1S/C40H62O14/c1-18-6-11-40(50-15-18)19(2)30-28(54-40)14-24-22-13-26(42)25-12-21(7-9-38(25,4)23(22)8-10-39(24,30)5)52-36-34(47)33(46)32(45)29(53-36)17-49-37-35(51-20(3)41)31(44)27(43)16-48-37/h18-19,21-25,27-37,43-47H,6-17H2,1-5H3 SMILES CC(=O)OC1C(OCC2OC(OC3CCC4(C)C(C3)C(=O)CC3C4CCC4(C)C3CC3OC5(CCC(C)CO5)C(C)C34)C(O)C(O)C2O)OCC(O)C1O MNX internals InChI (mnx) InChI=1/C40H62O14/c1-18-6-11-40(50-15-18)19(2)30-28(54-40)14-24-22-13-26(42)25-12-21(7-9-38(25,4)23(22)8-10-39(24,30)5)52-36-34(47)33(46)32(45)29(53-36)17-49-37-35(51-20(3)41)31(44)27(43)16-48-37/h18-19,21-25,27-37,43-47H,6-17H2,1-5H3/t18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40? SMILES (mnx) [CH3:1][CH:18]1[CH2:6][CH2:11][C:40]2([CH:19]([CH3:2])[CH:30]3[CH:28]([CH2:14][CH:24]4[CH:22]5[CH2:13][C:26](=[O:42])[CH:25]6[CH2:12][CH:21]([O:52][CH:36]7[CH:34]([OH:47])[CH:33]([OH:46])[CH:32]([OH:45])[CH:29]([CH2:17][O:49][CH:37]8[CH:35]([O:51][C:20]([CH3:3])=[O:41])[CH:31]([OH:44])[CH:27]([OH:43])[CH2:16][O:48]8)[O:53]7)[CH2:7][CH2:9][C:38]6([CH3:4])[CH:23]5[CH2:8][CH2:10][C:39]43[CH3:5])[O:54]2)[O:50][CH2:15]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0