CID 493362

4h-1-benzopyran-4-one, 7-(.alpha.-d-glucopyranosyloxy)-5-hydroxy-2-phenyl-6-(phenylmethoxy)-

Structural Information

Molecular Formula
C28H26O10
SMILES
C1=CC=C(C=C1)COC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C28H26O10/c29-13-21-23(31)25(33)26(34)28(38-21)37-20-12-19-22(17(30)11-18(36-19)16-9-5-2-6-10-16)24(32)27(20)35-14-15-7-3-1-4-8-15/h1-12,21,23,25-26,28-29,31-34H,13-14H2/t21-,23-,25+,26-,28+/m1/s1
InChIKey
AVKDNKLNIWPFDN-VJCJONDTSA-N
Compound name
5-hydroxy-2-phenyl-6-phenylmethoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

522.1526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.15988 222.5
[M+Na]+ 545.14182 227.3
[M-H]- 521.14532 231.3
[M+NH4]+ 540.18642 222.4
[M+K]+ 561.11576 226.8
[M+H-H2O]+ 505.14986 210.5
[M+HCOO]- 567.15080 231.5
[M+CH3COO]- 581.16645 239.3
[M+Na-2H]- 543.12727 221.8
[M]+ 522.15205 224.9
[M]- 522.15315 224.9
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.