CID 4166923

2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C25H38O16
SMILES
C1=CC=C(C=C1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
InChI
InChI=1S/C25H38O16/c26-6-11-14(28)17(31)19(33)23(38-11)37-9-13-16(30)22(41-25-20(34)18(32)15(29)12(7-27)39-25)21(35)24(40-13)36-8-10-4-2-1-3-5-10/h1-5,11-35H,6-9H2
InChIKey
ZJEBYRRLXCRZQN-UHFFFAOYSA-N
Compound name
2-[[3,5-dihydroxy-6-phenylmethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

594.216 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.22328 233.5
[M+Na]+ 617.20522 233.2
[M+NH4]+ 612.24982 232.6
[M+K]+ 633.17916 238.3
[M-H]- 593.20872 225.6
[M+Na-2H]- 615.19067 251.4
[M]+ 594.21545 230.6
[M]- 594.21655 230.6
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.