Molecule

ID:133126

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₂O₁₀
Molecular Mass
482.43618
Exact Mass
482.1212969
Charge
0
InChI
InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25?/m0/s1
InChIKey
SEBFKMXJBCUCAI-ILJKEPSESA-N
Canonic Smiles
OC[C@@H]1Oc2ccc(cc2O[C@H]1c1ccc(c(c1)OC)O)C1Oc2cc(O)cc(c2C(=O)[C@H]1O)O
Isomeric Smiles
COc1cc(ccc1O)[C@H]1[C@@H](Oc2ccc(cc2O1)C1[C@@H](C(=O)c2c(cc(cc2O1)O)O)O)CO
Calculated Properties
JChem
Acid pKa
7.811773
H Acceptors
10
H Donor
5
LogD (pH = 5.5)
2.6272182
LogD (pH = 7.4)
2.4878588
Log P
2.629316
Molar Refractivity
120.2939
Polarizability
46.884537
Polar Surface Area
155.14
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation