CID 21722007

Chrysin 6-c-glucoside 8-c-arabinoside

Structural Information

Molecular Formula
C26H28O13
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=CC=C5)O)O)O
InChI
InChI=1S/C26H28O13/c27-7-13-18(31)21(34)23(36)26(39-13)15-19(32)14-10(28)6-12(9-4-2-1-3-5-9)38-24(14)16(20(15)33)25-22(35)17(30)11(29)8-37-25/h1-6,11,13,17-18,21-23,25-27,29-36H,7-8H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
InChIKey
ZGVGUTOTMNVHSX-VYUBKLCTSA-N
Compound name
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.153 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.16028 226.9
[M+Na]+ 571.14222 231.0
[M-H]- 547.14572 222.0
[M+NH4]+ 566.18682 228.4
[M+K]+ 587.11616 227.7
[M+H-H2O]+ 531.15026 218.8
[M+HCOO]- 593.15120 230.5
[M+CH3COO]- 607.16685 234.7
[M+Na-2H]- 569.12767 250.0
[M]+ 548.15245 237.3
[M]- 548.15355 237.3
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

No patent data available for this compound.