Met005754: Cucurbitoside G

Metabolite Information

Name

Cucurbitoside G

IUPAC Name

[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 2-methylbutanoate

Molecular Formula

C24H36O12

Molecular Weight

516.5

Exact Mass

516.2206766

SMILES

CCC(C)C(=O)OCC1(COC(C1O)OC2C(C(C(OC2OC3=CC=C(C=C3)CCO)CO)O)O)O

InChIKey

KIGAVGWAFUGRJT-OFQQMQLXSA-N

InChI

InChI=1S/C24H36O12/c1-3-13(2)21(30)32-11-24(31)12-33-23(20(24)29)36-19-18(28)17(27)16(10-26)35-22(19)34-15-6-4-14(5-7-15)8-9-25/h4-7,13,16-20,22-23,25-29,31H,3,8-12H2,1-2H3/t13?,16-,17-,18+,19-,20+,22-,23+,24-/m1/s1