1,2,6-trikis-O-galloyl-β-D-glucose

1,2,6-trikis-<i>O</i>-galloyl-β-<i>D</i>-glucose




Chemical Formula:
C27H24O18
Molecular Weight:
636.476 Daltons
Monoisotopic Mass:
636.0962639682 Daltons
SMILES:
C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C3(OC(C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)C(O)C(O)3)OC(C4(C=C(O)C(O)=C(O)C=4))=O)
InChI:
1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1
InChIKey:
LLENXGNWVNSBQG-VFTFQOQOSA-N

Synonyms
  • 1,2,6-tri-O-gallose-β-D-glucopyranose

Databases
MetaCyc:  CPD-8947
HMDB:  HMDB39182
ChemSpider:  389282
ChEBI:  27395
PubChem (CID):  440308
KEGG:  C04360
Seed:  cpd02671
MetaNetX:  MNXM723194