kaempferide 3-O-[beta-D-glucopyranosyl-(1->2)]-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside

Properties Image MNX_ID MNXM114688 reference metacycM:CPD-14960 formula C34H41O20 global charge -1 mol weight 769.682 InChIKey DYZZIAIGKSRPMS-JYTSTOSVSA-M InChI InChI=1S/C34H42O20/c1-11-20(38)24(42)27(45)32(49-11)48-10-18-22(40)26(44)31(54-33-28(46)25(43)21(39)17(9-35)51-33)34(52-18)53-30-23(41)19-15(37)7-13(36)8-16(19)50-29(30)12-3-5-14(47-2)6-4-12/h3-8,11,17-18,20-22,24-28,31-40,42-46H,9-10H2,1-2H3/p-1/t11-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32+,33-,34-/m0/s1 SMILES COC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C([O-])C=C3O2)C=C1 MNX internals InChI (mnx) InChI=1/C34H42O20/c1-11-20(38)24(42)27(45)32(49-11)48-10-18-22(40)26(44)31(54-33-28(46)25(43)21(39)17(9-35)51-33)34(52-18)53-30-23(41)19-15(37)7-13(36)8-16(19)50-29(30)12-3-5-14(47-2)6-4-12/h3-8,11,17-18,20-22,24-28,31-40,42-46H,9-10H2,1-2H3/t11-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32+,33-,34-/m0/s1 SMILES (mnx) [CH3:1][C@H:11]1[C@H:20]([OH:38])[C@@H:24]([OH:42])[C@@H:27]([OH:45])[C@H:32]([O:48][CH2:10][C@@H:18]2[C@@H:22]([OH:40])[C@H:26]([OH:44])[C@@H:31]([O:54][C@H:33]3[C@H:28]([OH:46])[C@@H:25]([OH:43])[C@H:21]([OH:39])[C@@H:17]([CH2:9][OH:35])[O:51]3)[C@H:34]([O:53][C:30]3=[C:29]([C:12]4=[CH:4][CH:6]=[C:14]([O:47][CH3:2])[CH:5]=[CH:3]4)[O:50][C:16]4=[CH:8][C:13]([OH:36])=[CH:7][C:15]([OH:37])=[C:19]4[C:23]3=[O:41])[O:52]2)[O:49]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0