CID 56776228

Lepidoside

Structural Information

Molecular Formula
C26H28O14
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
InChI
InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)38-12-6-13(28)16-15(7-12)39-23(10-2-4-11(27)5-3-10)24(19(16)32)40-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3/t9-,14+,17-,18-,20+,21+,22+,25-,26-/m0/s1
InChIKey
DQBVFTJNUYZVQL-AJLBHKPASA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1479 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.155176 231.0
[M+Na]+ 587.137118 234.9
[M-H]- 563.140624 226.3
[M+NH4]+ 582.181723 232.4
[M+K]+ 603.111058 230.9
[M+H-H2O]+ 547.145160 223.1
[M+HCOO]- 609.146101 234.4
[M+CH3COO]- 623.161751 238.6
[M+Na-2H]- 585.122566 253.6
[M]+ 564.14735142 240.7
[M]- 564.14844858 240.7
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.