CID 131751298

Leucodelphinidin 3-[galactosyl-(1->4)-glucoside]

Structural Information

Molecular Formula
C27H34O18
SMILES
C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O
InChI
InChI=1S/C27H34O18/c28-5-13-17(35)18(36)20(38)26(42-13)44-24-14(6-29)43-27(21(39)19(24)37)45-25-15-9(31)3-8(30)4-12(15)41-23(22(25)40)7-1-10(32)16(34)11(33)2-7/h1-4,13-14,17-40H,5-6H2
InChIKey
QDZRWBGIKIHOHH-UHFFFAOYSA-N
Compound name
4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.1745 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.18178 236.9
[M+Na]+ 669.16372 237.3
[M+NH4]+ 664.20832 236.9
[M+K]+ 685.13766 243.6
[M-H]- 645.16722 230.4
[M+Na-2H]- 667.14917 256.7
[M]+ 646.17395 235.0
[M]- 646.17505 235.0
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.