CID 85163169

[6]-gingerdiol 5-o-beta-d-glucopyranoside

Structural Information

Molecular Formula
C23H38O9
SMILES
CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C23H38O9/c1-3-4-5-6-16(31-23-22(29)21(28)20(27)19(13-24)32-23)12-15(25)9-7-14-8-10-17(26)18(11-14)30-2/h8,10-11,15-16,19-29H,3-7,9,12-13H2,1-2H3
InChIKey
IJSYHUFAWPXPKA-UHFFFAOYSA-N
Compound name
2-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.2516 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.258876 210.6
[M+Na]+ 481.240818 210.9
[M-H]- 457.244324 208.5
[M+NH4]+ 476.285423 213.7
[M+K]+ 497.214758 209.7
[M+H-H2O]+ 441.248860 202.4
[M+HCOO]- 503.249801 217.0
[M+CH3COO]- 517.265451 225.9
[M+Na-2H]- 479.226266 203.8
[M]+ 458.25105142 212.5
[M]- 458.25214858 212.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.