guaiacol 2-O-β-D-glucopyranosyl-(1 -> 2)-[O-β-D-xylopyranosyl-(1 -> 6)]-O-β-D-glucopyranoside
Chemical Formula:
C24H36O16
Molecular Weight:
580.539 Daltons
Monoisotopic Mass:
580.2003351092 Daltons
SMILES:
COC1(=CC=CC=C1OC2(C(C(C(O)C(O2)COC3(C(C(O)C(CO3)O)O))O)OC4(C(C(C(O)C(O4)CO)O)O)))
InChI:
1S/C24H36O16/c1-34-10-4-2-3-5-11(10)37-24-21(40-23-20(33)17(30)15(28)12(6-25)38-23)18(31)16(29)13(39-24)8-36-22-19(32)14(27)9(26)7-35-22/h2-5,9,12-33H,6-8H2,1H3/t9-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-/m1/s1
InChIKey:
Synonyms
- guaiacyl-GXG
- guaiacyl-6-O-β-D-xylopyranosyl-1,2-β-D-diglucopyranoside
Databases
MetaCyc:
CPD-19196
PubChem (CID):
122706390
MetaNetX:
MNXM526129