CID 11006262

8-[(2s,3s,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Structural Information

Molecular Formula
C26H28O14
SMILES
C1[C@@]([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=C(C=C5)O)O)(CO)O
InChI
InChI=1S/C26H28O14/c27-6-13-17(31)20(34)21(35)23(40-13)15-18(32)14-11(30)5-12(9-1-3-10(29)4-2-9)39-22(14)16(19(15)33)24-25(36)26(37,7-28)8-38-24/h1-5,13,17,20-21,23-25,27-29,31-37H,6-8H2/t13-,17-,20+,21-,23+,24+,25+,26-/m1/s1
InChIKey
VZBJDZWPLLGMPG-BAMFSNAZSA-N
Compound name
8-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1479 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.15518 226.0
[M+Na]+ 587.13712 231.0
[M-H]- 563.14062 223.1
[M+NH4]+ 582.18172 228.2
[M+K]+ 603.11106 230.5
[M+H-H2O]+ 547.14516 218.2
[M+HCOO]- 609.14610 230.2
[M+CH3COO]- 623.16175 234.5
[M+Na-2H]- 585.12257 245.9
[M]+ 564.14735 235.2
[M]- 564.14845 235.2
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.