Capsicoside C

Properties Image MNX_ID MNXM120171 reference chebi:192888 formula C52H88O25 global charge 0 mol weight 1113.251 InChIKey CKNKYVMVZPUAOQ-UHFFFAOYSA-N InChI InChI=1S/C52H88O25/c1-20(19-69-46-41(65)37(61)34(58)29(15-53)71-46)8-11-52(68-5)21(2)33-28(77-52)13-25-23-7-6-22-12-27(26(57)14-51(22,4)24(23)9-10-50(25,33)3)70-47-43(67)40(64)44(32(18-56)74-47)75-49-45(39(63)36(60)31(17-55)73-49)76-48-42(66)38(62)35(59)30(16-54)72-48/h20-49,53-67H,6-19H2,1-5H3 SMILES COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C MNX internals InChI (mnx) InChI=1/C52H88O25/c1-20(19-69-46-41(65)37(61)34(58)29(15-53)71-46)8-11-52(68-5)21(2)33-28(77-52)13-25-23-7-6-22-12-27(26(57)14-51(22,4)24(23)9-10-50(25,33)3)70-47-43(67)40(64)44(32(18-56)74-47)75-49-45(39(63)36(60)31(17-55)73-49)76-48-42(66)38(62)35(59)30(16-54)72-48/h20-49,53-67H,6-19H2,1-5H3/t20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52? SMILES (mnx) [CH3:1][CH:20]([CH2:8][CH2:11][C:52]1([O:68][CH3:5])[CH:21]([CH3:2])[CH:33]2[CH:28]([CH2:13][CH:25]3[CH:23]4[CH2:7][CH2:6][CH:22]5[CH2:12][CH:27]([O:70][CH:47]6[CH:43]([OH:67])[CH:40]([OH:64])[CH:44]([O:75][CH:49]7[CH:45]([O:76][CH:48]8[CH:42]([OH:66])[CH:38]([OH:62])[CH:35]([OH:59])[CH:30]([CH2:16][OH:54])[O:72]8)[CH:39]([OH:63])[CH:36]([OH:60])[CH:31]([CH2:17][OH:55])[O:73]7)[CH:32]([CH2:18][OH:56])[O:74]6)[CH:26]([OH:57])[CH2:14][C:51]5([CH3:4])[CH:24]4[CH2:9][CH2:10][C:50]32[CH3:3])[O:77]1)[CH2:19][O:69][CH:46]1[CH:41]([OH:65])[CH:37]([OH:61])[CH:34]([OH:58])[CH:29]([CH2:15][OH:53])[O:71]1

Parent-child relations graph

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