Molecule

ID:127849

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆O₁₃
Molecular Mass
522.45544
Exact Mass
522.13734089
Charge
0
InChI
InChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3
InChIKey
LNQCUTNLHUQZLR-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(Oc2cc3occ(c(=O)c3c(c2OC)O)c2cc(O)c(c(c2)OC)OC)C(C(C1O)O)O
Isomeric Smiles
COc1cc(cc(c1OC)O)c1coc2cc(c(c(c2c1=O)O)OC)OC1C(C(C(C(O1)CO)O)O)O
Calculated Properties
JChem
Acid pKa
8.83886
H Acceptors
13
H Donor
6
LogD (pH = 5.5)
0.33559313
LogD (pH = 7.4)
0.32026064
Log P
0.3357905
Molar Refractivity
123.2169
Polarizability
48.51491
Polar Surface Area
193.83
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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