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 186.5
[M+Na]+ 413.14182 190.3
[M-H]- 389.14532 185.9
[M+NH4]+ 408.18642 192.7
[M+K]+ 429.11576 190.5
[M+H-H2O]+ 373.14986 179.0
[M+HCOO]- 435.15080 196.1
[M+CH3COO]- 449.16645 211.6
[M+Na-2H]- 411.12727 183.4
[M]+ 390.15205 189.0
[M]- 390.15315 189.0
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.