CID 51136398

Wogonin 7-o-glucoside

Structural Information

Molecular Formula
C22H22O10
SMILES
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C22H22O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-8,15,17-19,22-23,25-28H,9H2,1H3/t15-,17-,18+,19-,22-/m1/s1
InChIKey
YLOZPZMPWNUOJV-DRASZATQSA-N
Compound name
5-hydroxy-8-methoxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

446.1213 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12858 202.8
[M+Na]+ 469.11052 215.5
[M+NH4]+ 464.15512 206.2
[M+K]+ 485.08446 212.6
[M-H]- 445.11402 207.8
[M+Na-2H]- 467.09597 204.5
[M]+ 446.12075 205.8
[M]- 446.12185 205.8
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

patents stripe