Medicoside F

Properties Image MNX_ID MNXM127742 reference chebi:185403 formula C47H76O18 global charge 0 mol weight 929.107 InChIKey KOQPPOSSMNKJPO-UHFFFAOYSA-N InChI InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-39-36(58)34(56)32(54)26(19-49)62-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(30(52)24(51)20-60-40)64-38-35(57)33(55)31(53)25(18-48)61-38/h7,23-40,48-58H,8-21H2,1-6H3 SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 MNX internals InChI (mnx) InChI=1/C47H76O18/c1-42(2)13-15-47(41(59)65-39-36(58)34(56)32(54)26(19-49)62-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(30(52)24(51)20-60-40)64-38-35(57)33(55)31(53)25(18-48)61-38/h7,23-40,48-58H,8-21H2,1-6H3/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,43?,44?,45?,46?,47? SMILES (mnx) [CH3:1][C:42]1([CH3:2])[CH2:13][CH2:15][C:47]2([C:41](=[O:59])[O:65][CH:39]3[CH:36]([OH:58])[CH:34]([OH:56])[CH:32]([OH:54])[CH:26]([CH2:19][OH:49])[O:62]3)[CH2:16][CH2:14][C:45]3([CH3:5])[C:22](=[CH:7][CH2:8][CH:28]4[C:43]5([CH3:3])[CH2:11][CH2:10][CH:29]([O:63][CH:40]6[CH:37]([O:64][CH:38]7[CH:35]([OH:57])[CH:33]([OH:55])[CH:31]([OH:53])[CH:25]([CH2:18][OH:48])[O:61]7)[CH:30]([OH:52])[CH:24]([OH:51])[CH2:20][O:60]6)[C:44]([CH3:4])([CH2:21][OH:50])[CH:27]5[CH2:9][CH2:12][C:46]43[CH3:6])[CH:23]2[CH2:17]1

Parent-child relations graph

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