Chrysophanol 1-tetraglucoside

Properties Image MNX_ID MNXM120517 reference chebi:193938 formula C39H50O24 global charge 0 mol weight 902.805 InChIKey CWGIPJXDFYVNHH-UHFFFAOYSA-N InChI InChI=1S/C39H50O24/c1-11-5-13-21(27(48)20-12(22(13)43)3-2-4-14(20)42)15(6-11)58-38-32(53)29(50)24(45)18(61-38)10-57-37-34(55)35(26(47)17(8-41)60-37)63-39-33(54)30(51)25(46)19(62-39)9-56-36-31(52)28(49)23(44)16(7-40)59-36/h2-6,16-19,23-26,28-42,44-47,49-55H,7-10H2,1H3 SMILES CC1=CC2=C(C(=O)C3=C(C=CC=C3O)C2=O)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1 MNX internals InChI (mnx) InChI=1/C39H50O24/c1-11-5-13-21(27(48)20-12(22(13)43)3-2-4-14(20)42)15(6-11)58-38-32(53)29(50)24(45)18(61-38)10-57-37-34(55)35(26(47)17(8-41)60-37)63-39-33(54)30(51)25(46)19(62-39)9-56-36-31(52)28(49)23(44)16(7-40)59-36/h2-6,16-19,23-26,28-42,44-47,49-55H,7-10H2,1H3/t16?,17?,18?,19?,23?,24?,25?,26?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39? SMILES (mnx) [CH3:1][C:11]1=[CH:6][C:15]([O:58][CH:38]2[CH:32]([OH:53])[CH:29]([OH:50])[CH:24]([OH:45])[CH:18]([CH2:10][O:57][CH:37]3[CH:34]([OH:55])[CH:35]([O:63][CH:39]4[CH:33]([OH:54])[CH:30]([OH:51])[CH:25]([OH:46])[CH:19]([CH2:9][O:56][CH:36]5[CH:31]([OH:52])[CH:28]([OH:49])[CH:23]([OH:44])[CH:16]([CH2:7][OH:40])[O:59]5)[O:62]4)[CH:26]([OH:47])[CH:17]([CH2:8][OH:41])[O:60]3)[O:61]2)=[C:21]2[C:13](=[CH:5]1)[C:22](=[O:43])[C:12]1=[C:20]([C:14]([OH:42])=[CH:4][CH:2]=[CH:3]1)[C:27]2=[O:48]

Parent-child relations graph

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