CID 74978164

2-(3,4-dihydroxyphenyl)-3-[(o-beta-d-glucopyranosyl-(1-->2)-o-[beta-d-glucopyranosyl-(1-->6)]-beta-d-glucopyranosyl)oxy]-5,7-dihydroxy-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C33H40O22
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O
InChI
InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-8-17-21(42)25(46)30(55-32-27(48)24(45)20(41)16(7-35)52-32)33(53-17)54-29-22(43)18-13(39)4-10(36)5-14(18)50-28(29)9-1-2-11(37)12(38)3-9/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2
InChIKey
QSUCYXFFQLQGKE-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

788.2011 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 789.20838 260.7
[M+Na]+ 811.19032 261.2
[M+NH4]+ 806.23492 261.3
[M+K]+ 827.16426 268.2
[M-H]- 787.19382 255.4
[M+Na-2H]- 809.17577 283.3
[M]+ 788.20055 259.7
[M]- 788.20165 259.7
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.