CID 74978233

Glyphoside

Structural Information

Molecular Formula
C23H22O13
SMILES
CC(=O)OC1C(C(C(OC1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)CO)O)O
InChI
InChI=1S/C23H22O13/c1-8(25)33-22-19(32)17(30)15(7-24)35-23(22)36-21-18(31)16-13(29)5-10(26)6-14(16)34-20(21)9-2-3-11(27)12(28)4-9/h2-6,15,17,19,22-24,26-30,32H,7H2,1H3
InChIKey
AIHKAQUFJMNPAR-UHFFFAOYSA-N
Compound name
[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

506.10605 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.11333 214.1
[M+Na]+ 529.09527 224.2
[M+NH4]+ 524.13987 214.5
[M+K]+ 545.06921 224.7
[M-H]- 505.09877 216.4
[M+Na-2H]- 527.08072 212.4
[M]+ 506.10550 215.6
[M]- 506.10660 215.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe