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]+ 459.25888 210.6
[M+Na]+ 481.24082 210.9
[M-H]- 457.24432 208.5
[M+NH4]+ 476.28542 213.7
[M+K]+ 497.21476 209.7
[M+H-H2O]+ 441.24886 202.4
[M+HCOO]- 503.24980 217.0
[M+CH3COO]- 517.26545 225.9
[M+Na-2H]- 479.22627 203.8
[M]+ 458.25105 212.5
[M]- 458.25215 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.