CID 14018771

Egonol glucoside

Structural Information

Molecular Formula
C25H28O10
SMILES
COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)CCCOC5C(C(C(C(O5)CO)O)O)O
InChI
InChI=1S/C25H28O10/c1-30-19-8-13(3-2-6-31-25-23(29)22(28)21(27)20(11-26)35-25)7-15-10-17(34-24(15)19)14-4-5-16-18(9-14)33-12-32-16/h4-5,7-10,20-23,25-29H,2-3,6,11-12H2,1H3
InChIKey
RAMYDZNQLYKTGB-UHFFFAOYSA-N
Compound name
2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3
Patents

488.16824 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.175516 210.4
[M+Na]+ 511.157458 216.3
[M-H]- 487.160964 220.3
[M+NH4]+ 506.202063 215.3
[M+K]+ 527.131398 217.7
[M+H-H2O]+ 471.165500 205.2
[M+HCOO]- 533.166441 220.3
[M+CH3COO]- 547.182091 218.5
[M+Na-2H]- 509.142906 209.2
[M]+ 488.16769142 218.7
[M]- 488.16878858 218.7
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

No patent data available for this compound.