CID 131751962

2,4,6-phenanthrenetriol 2-o-b-d-glucoside

Structural Information

Molecular Formula
C20H20O8
SMILES
C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C20H20O8/c21-8-15-17(24)18(25)19(26)20(28-15)27-12-5-10-2-1-9-3-4-11(22)6-13(9)16(10)14(23)7-12/h1-7,15,17-26H,8H2
InChIKey
OLRKGPYAYTYJGF-UHFFFAOYSA-N
Compound name
2-(4,6-dihydroxyphenanthren-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1158 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12308 186.4
[M+Na]+ 411.10502 193.9
[M-H]- 387.10852 188.7
[M+NH4]+ 406.14962 194.8
[M+K]+ 427.07896 191.0
[M+H-H2O]+ 371.11306 178.6
[M+HCOO]- 433.11400 196.1
[M+CH3COO]- 447.12965 212.3
[M+Na-2H]- 409.09047 188.9
[M]+ 388.11525 187.2
[M]- 388.11635 187.2
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.