CID 73118547

Todatriol glucoside

Structural Information

Molecular Formula
C17H26O10
SMILES
COC1=CC(=CC(=C1OC)O)CC(COC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C17H26O10/c1-24-11-5-8(4-10(20)16(11)25-2)3-9(19)7-26-17-15(23)14(22)13(21)12(6-18)27-17/h4-5,9,12-15,17-23H,3,6-7H2,1-2H3
InChIKey
OFPQILBGSKDVRR-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1526 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15988 188.4
[M+Na]+ 413.14182 195.2
[M+NH4]+ 408.18642 190.0
[M+K]+ 429.11576 195.4
[M-H]- 389.14532 187.1
[M+Na-2H]- 411.12727 186.2
[M]+ 390.15205 188.3
[M]- 390.15315 188.3
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.