glucodigifucoside
Chemical Formula:
C35H54O13
Molecular Weight:
682.804 Daltons
Monoisotopic Mass:
682.3564418207 Daltons
SMILES:
CC2(OC(C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2)OC6(CC7(CCC5(C(CCC4(C)(C(C3(COC(=O)C=3))CCC(O)45))C(CC6)(C)7))))
InChI:
1S/C35H54O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3/t16?,18?,19?,20?,21-,22?,23?,25+,26?,27?,28+,29+,30?,31?,32?,33?,34?,35?/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-10539
Seed:
cpd22708
MetaNetX:
MNXM11688