curcumin 4',4''-O-β-D-digentiobioside
Chemical Formula:
C45H60O26
Molecular Weight:
1016.953 Daltons
Monoisotopic Mass:
1016.3372821006001 Daltons
SMILES:
COC6(=CC(C=CC(=CC(C=CC1(=CC(=C(C=C1)OC2(C(C(C(C(O2)COC3(C(C(C(C(O3)CO)O)O)O))O)O)O))OC))=O)O)=CC=C(OC4(OC(C(C(C4O)O)O)COC5(OC(C(C(C5O)O)O)CO)))6)
InChI:
1S/C45H60O26/c1-62-24-11-18(5-9-22(24)66-44-40(60)36(56)32(52)28(70-44)16-64-42-38(58)34(54)30(50)26(14-46)68-42)3-7-20(48)13-21(49)8-4-19-6-10-23(25(12-19)63-2)67-45-41(61)37(57)33(53)29(71-45)17-65-43-39(59)35(55)31(51)27(15-47)69-43/h3-13,26-48,50-61H,14-17H2,1-2H3/b7-3+,8-4+,20-13-/t26-,27+,28-,29+,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+,40-,41+,42-,43+,44?,45+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-6626
PubChem (CID):
46926244
Seed:
cpd24642
MetaNetX:
MNXM16931