2-O-[6-O-octanoyl-α-D-glucopyranosyl-(1→6)-(α-D-glucopyranosyl]-D-glycerate

Chemical Formula:

C₂₃H₃₉O₁₅

Molecular Weight:

555.552 Daltons

Monoisotopic Mass:

556.2367206155 Daltons

SMILES:

CCCCCCCC(OCC2(OC(OCC1(OC(OC(CO)C(=O)[O-])C(O)C(O)C(O)1))C(O)C(O)C(O)2))=O

InChI:

1S/C23H40O15/c1-2-3-4-5-6-7-14(25)34-9-12-15(26)17(28)19(30)22(37-12)35-10-13-16(27)18(29)20(31)23(38-13)36-11(8-24)21(32)33/h11-13,15-20,22-24,26-31H,2-10H2,1H3,(H,32,33)/p-1/t11-,12-,13-,15-,16-,17+,18+,19-,20-,22+,23+/m1/s1

InChIKey:

VGKUTDQBPZMQAK-KADMOUQGSA-M

Synonyms

octanoyldiglucosylglycerate

Databases

MetaCyc: CPD-20964

ChEBI: 136743

PubChem (CID): 126843495