Chondrillasterol 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside]

Properties Image MNX_ID MNXM120502 reference chebi:169790 formula C47H78O16 global charge 0 mol weight 899.125 InChIKey GKJMLOMZBLJNRX-CMDGGOBGSA-N InChI InChI=1S/C47H78O16/c1-7-24(22(2)3)9-8-23(4)28-12-13-29-27-11-10-25-18-26(14-16-46(25,5)30(27)15-17-47(28,29)6)58-44-41(38(55)35(52)32(20-49)60-44)63-45-42(39(56)36(53)33(21-50)61-45)62-43-40(57)37(54)34(51)31(19-48)59-43/h8-9,11,22-26,28-45,48-57H,7,10,12-21H2,1-6H3/b9-8+ SMILES CCC(/C=C/C(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)C MNX internals InChI (mnx) InChI=1/C47H78O16/c1-7-24(22(2)3)9-8-23(4)28-12-13-29-27-11-10-25-18-26(14-16-46(25,5)30(27)15-17-47(28,29)6)58-44-41(38(55)35(52)32(20-49)60-44)63-45-42(39(56)36(53)33(21-50)61-45)62-43-40(57)37(54)34(51)31(19-48)59-43/h8-9,11,22-26,28-45,48-57H,7,10,12-21H2,1-6H3/b9-8+/t23?,24?,25?,26?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47? SMILES (mnx) [CH3:1][CH2:7][CH:24](/[CH:9]=[CH:8]/[CH:23]([CH3:4])[CH:28]1[CH2:12][CH2:13][CH:29]2[C:27]3=[CH:11][CH2:10][CH:25]4[CH2:18][CH:26]([O:58][CH:44]5[CH:41]([O:63][CH:45]6[CH:42]([O:62][CH:43]7[CH:40]([OH:57])[CH:37]([OH:54])[CH:34]([OH:51])[CH:31]([CH2:19][OH:48])[O:59]7)[CH:39]([OH:56])[CH:36]([OH:53])[CH:33]([CH2:21][OH:50])[O:61]6)[CH:38]([OH:55])[CH:35]([OH:52])[CH:32]([CH2:20][OH:49])[O:60]5)[CH2:14][CH2:16][C:46]4([CH3:5])[CH:30]3[CH2:15][CH2:17][C:47]12[CH3:6])[CH:22]([CH3:2])[CH3:3]

Parent-child relations graph

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