CID 118987288

Beta-d-glca-(1->3)-alpha-d-xyl-(1->3)-beta-d-glca

Structural Information

Molecular Formula
C17H26O17
SMILES
C1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O)C(=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O
InChI
InChI=1S/C17H26O17/c18-2-1-30-16(33-10-6(22)12(14(27)28)31-15(29)7(10)23)8(24)9(2)32-17-5(21)3(19)4(20)11(34-17)13(25)26/h2-12,15-24,29H,1H2,(H,25,26)(H,27,28)/t2-,3+,4+,5-,6+,7-,8-,9+,10+,11+,12+,15-,16-,17-/m1/s1
InChIKey
KNMXYLIPJWSRAE-LMPZGDCASA-N
Compound name
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R)-2-[(2S,3S,4S,5R,6R)-2-carboxy-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

502.117 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.12428 209.6
[M+Na]+ 525.10622 209.4
[M+NH4]+ 520.15082 208.9
[M+K]+ 541.08016 214.9
[M-H]- 501.10972 201.5
[M+Na-2H]- 523.09167 229.0
[M]+ 502.11645 206.7
[M]- 502.11755 206.7
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.