kaempferide triglycoside

Chemical Formula:

C₃₄H₄₂O₂₀

Molecular Weight:

770.694 Daltons

Monoisotopic Mass:

770.2269437902 Daltons

SMILES:

CC6(OC(OCC5(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(OC)=CC=2))=3)))C(OC4(OC(CO)C(O)C(O)C(O)4))C(O)C(O)5))C(O)C(O)C(O)6)

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/t11-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32+,33-,34-/m0/s1

InChIKey:

DYZZIAIGKSRPMS-JYTSTOSVSA-N

Synonyms

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

Databases

MetaCyc: CPD-14960

PubChem (CID): 10818979

MetaNetX: MNXM114688