Furcogenin 3-[2''-glucosyl-6''-arabinosylglucoside]

Properties Image MNX_ID MNXM125800 reference chebi:183042 formula C44H70O18 global charge 0 mol weight 887.026 InChIKey JNPONVQKBRADJJ-UHFFFAOYSA-N InChI InChI=1S/C44H70O18/c1-18-7-10-44(57-15-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(47)43(24,30)4)58-41-38(61-40-37(54)34(51)32(49)27(14-45)59-40)35(52)33(50)28(60-41)17-56-39-36(53)31(48)25(46)16-55-39/h18-28,30-41,45-46,48-54H,5-17H2,1-4H3 SMILES CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2C MNX internals InChI (mnx) InChI=1/C44H70O18/c1-18-7-10-44(57-15-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(47)43(24,30)4)58-41-38(61-40-37(54)34(51)32(49)27(14-45)59-40)35(52)33(50)28(60-41)17-56-39-36(53)31(48)25(46)16-55-39/h18-28,30-41,45-46,48-54H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44? SMILES (mnx) [CH3:1][CH:18]1[CH2:7][CH2:10][C:44]2([CH:19]([CH3:2])[CH:30]3[CH:26]([CH2:12][CH:24]4[CH:22]5[CH2:6][CH2:5][CH:20]6[CH2:11][CH:21]([O:58][CH:41]7[CH:38]([O:61][CH:40]8[CH:37]([OH:54])[CH:34]([OH:51])[CH:32]([OH:49])[CH:27]([CH2:14][OH:45])[O:59]8)[CH:35]([OH:52])[CH:33]([OH:50])[CH:28]([CH2:17][O:56][CH:39]8[CH:36]([OH:53])[CH:31]([OH:48])[CH:25]([OH:46])[CH2:16][O:55]8)[O:60]7)[CH2:8][CH2:9][C:42]6([CH3:3])[CH:23]5[CH2:13][C:29](=[O:47])[C:43]43[CH3:4])[O:62]2)[O:57][CH2:15]1

Parent-child relations graph

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