CID 157009903

Vitexin 2''-xyloside

Structural Information

Molecular Formula
C26H28O14
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C26H28O14/c27-7-15-19(33)21(35)25(40-26-22(36)20(34)16(8-28)39-26)24(38-15)18-12(31)5-11(30)17-13(32)6-14(37-23(17)18)9-1-3-10(29)4-2-9/h1-6,15-16,19-22,24-31,33-36H,7-8H2/t15-,16-,19-,20+,21+,22-,24?,25-,26+/m1/s1
InChIKey
BBUDILRMCLBZGM-AOGPCRGDSA-N
Compound name
8-[(3R,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1479 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.15518 231.3
[M+Na]+ 587.13712 235.7
[M-H]- 563.14062 227.9
[M+NH4]+ 582.18172 233.2
[M+K]+ 603.11106 236.0
[M+H-H2O]+ 547.14516 223.2
[M+HCOO]- 609.14610 235.1
[M+CH3COO]- 623.16175 239.2
[M+Na-2H]- 585.12257 250.3
[M]+ 564.14735 240.2
[M]- 564.14845 240.2
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.