CID 91847068

Glytoucan:g87877es

Structural Information

Molecular Formula
C17H30O15
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C17H30O15/c18-1-4-7(20)10(23)12(25)16(29-4)32-14-9(22)5(2-19)30-17(13(14)26)31-6-3-28-15(27)11(24)8(6)21/h4-27H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11-,12-,13-,14+,15-,16+,17+/m1/s1
InChIKey
GWSLPGNXAMOHHW-OOEKSFJSSA-N
Compound name
(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

474.15848 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.165756 208.8
[M+Na]+ 497.147698 208.0
[M-H]- 473.151204 200.0
[M+NH4]+ 492.192303 207.4
[M+K]+ 513.121638 209.0
[M+H-H2O]+ 457.155740 202.3
[M+HCOO]- 519.156681 210.0
[M+CH3COO]- 533.172331 226.5
[M+Na-2H]- 495.133146 231.7
[M]+ 474.15793142 204.0
[M]- 474.15902858 204.0
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.