CID 131752010

Pallidol 3-glucoside

Structural Information

Molecular Formula
C34H32O11
SMILES
C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)OC7C(C(C(C(O7)CO)O)O)O)O)O
InChI
InChI=1S/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)26(15-3-7-17(37)8-4-15)29-20-9-18(38)10-22(39)27(20)25(30(21)29)14-1-5-16(36)6-2-14/h1-12,24-26,29-43H,13H2
InChIKey
LVYZAJNLNYSPIX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[[1,6,8-trihydroxy-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]inden-3-yl]oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.19446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.20174 242.9
[M+Na]+ 639.18368 245.9
[M+NH4]+ 634.22828 243.9
[M+K]+ 655.15762 249.0
[M-H]- 615.18718 238.4
[M+Na-2H]- 637.16913 252.8
[M]+ 616.19391 242.2
[M]- 616.19501 242.2
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.