(3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-glucoside] 6-xyloside

Properties Image MNX_ID MNXM115058 reference chebi:230263 formula C47H80O19 global charge 0 mol weight 949.138 InChIKey CXXVAICRCFBOHJ-UHFFFAOYSA-N InChI InChI=1S/C47H80O19/c1-21(2)10-9-12-46(8,66-41-36(33(57)31(55)26(19-49)64-41)65-40-35(59)32(56)30(54)25(18-48)63-40)47(60)15-14-44(6)37(47)22(50)16-27-43(5)13-11-28(52)42(3,4)38(43)24(17-45(27,44)7)62-39-34(58)29(53)23(51)20-61-39/h10,22-41,48-60H,9,11-20H2,1-8H3 SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OCC(O)C(O)C3O)CC12C MNX internals InChI (mnx) InChI=1/C47H80O19/c1-21(2)10-9-12-46(8,66-41-36(33(57)31(55)26(19-49)64-41)65-40-35(59)32(56)30(54)25(18-48)63-40)47(60)15-14-44(6)37(47)22(50)16-27-43(5)13-11-28(52)42(3,4)38(43)24(17-45(27,44)7)62-39-34(58)29(53)23(51)20-61-39/h10,22-41,48-60H,9,11-20H2,1-8H3/t22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,43?,44?,45?,46?,47? SMILES (mnx) [CH3:1][C:21]([CH3:2])=[CH:10][CH2:9][CH2:12][C:46]([CH3:8])([C:47]1([OH:60])[CH2:15][CH2:14][C:44]2([CH3:6])[CH:37]1[CH:22]([OH:50])[CH2:16][CH:27]1[C:43]3([CH3:5])[CH2:13][CH2:11][CH:28]([OH:52])[C:42]([CH3:3])([CH3:4])[CH:38]3[CH:24]([O:62][CH:39]3[CH:34]([OH:58])[CH:29]([OH:53])[CH:23]([OH:51])[CH2:20][O:61]3)[CH2:17][C:45]12[CH3:7])[O:66][CH:41]1[CH:36]([O:65][CH:40]2[CH:35]([OH:59])[CH:32]([OH:56])[CH:30]([OH:54])[CH:25]([CH2:18][OH:48])[O:63]2)[CH:33]([OH:57])[CH:31]([OH:55])[CH:26]([CH2:19][OH:49])[O:64]1

Parent-child relations graph

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