CID 131752625

Piceatannol 3,4'-diglucoside

Structural Information

Molecular Formula
C26H32O14
SMILES
C1=CC(=C(C=C1/C=C\C2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-6-12(5-13(29)8-14)2-1-11-3-4-16(15(30)7-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1-
InChIKey
UWGYRKQDXBYOFK-UPHRSURJSA-N
Compound name
2-[2-hydroxy-4-[(Z)-2-[3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.1792 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.18648 227.6
[M+Na]+ 591.16842 228.1
[M+NH4]+ 586.21302 227.2
[M+K]+ 607.14236 232.1
[M-H]- 567.17192 220.4
[M+Na-2H]- 589.15387 245.0
[M]+ 568.17865 225.2
[M]- 568.17975 225.2
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.