CID 74977720

6,8-diglucosyldiosmetin

Structural Information

Molecular Formula
C28H32O16
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O
InChI
InChI=1S/C28H32O16/c1-41-11-3-2-8(4-9(11)31)12-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-12)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3
InChIKey
GEFQDWALEWZTAR-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

624.169 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.17628 234.7
[M+Na]+ 647.15822 235.4
[M+NH4]+ 642.20282 234.8
[M+K]+ 663.13216 241.5
[M-H]- 623.16172 228.5
[M+Na-2H]- 645.14367 254.4
[M]+ 624.16845 232.9
[M]- 624.16955 232.9
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.