CID 78382737

4-o-methyl-a-d-glucosyl-(1->2)-b-d-xylosyl-(1->4)-d-xylose

Structural Information

Molecular Formula
C17H28O15
SMILES
COC1C(C(C(OC1C(=O)O)OC2C(C(COC2OC3COC(C(C3O)O)O)O)O)O)O
InChI
InChI=1S/C17H28O15/c1-27-11-8(21)10(23)16(32-13(11)14(24)25)31-12-6(19)4(18)2-29-17(12)30-5-3-28-15(26)9(22)7(5)20/h4-13,15-23,26H,2-3H2,1H3,(H,24,25)
InChIKey
XZGRJCXNJVJWKJ-UHFFFAOYSA-N
Compound name
6-[4,5-dihydroxy-2-(4,5,6-trihydroxyoxan-3-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.14282 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.15010 212.1
[M+Na]+ 495.13204 210.8
[M-H]- 471.13554 204.3
[M+NH4]+ 490.17664 210.8
[M+K]+ 511.10598 210.7
[M+H-H2O]+ 455.14008 204.6
[M+HCOO]- 517.14102 213.3
[M+CH3COO]- 531.15667 228.1
[M+Na-2H]- 493.11749 234.7
[M]+ 472.14227 209.0
[M]- 472.14337 209.0
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.