Molecule

ID:127363

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄O₁₁
Molecular Mass
476.43006
Exact Mass
476.13186159
Charge
0
InChI
InChI=1S/C23H24O11/c1-9-15(25)18(28)19(29)23(32-9)34-22-17(27)14-12(8-13(30-2)21(31-3)16(14)26)33-20(22)10-4-6-11(24)7-5-10/h4-9,15,18-19,23-26,28-29H,1-3H3
InChIKey
CXVSHWFUBVZVSW-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)cc2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)OC1OC(C)C(C(C1O)O)O
Isomeric Smiles
CC1C(C(C(C(O1)Oc1c(oc2cc(c(c(c2c1=O)O)OC)OC)c1ccc(cc1)O)O)O)O
Calculated Properties
JChem
Acid pKa
8.391864
H Acceptors
11
H Donor
5
LogD (pH = 5.5)
1.1933099
LogD (pH = 7.4)
1.1512009
Log P
1.1938628
Molar Refractivity
116.6964
Polarizability
45.28234
Polar Surface Area
164.37
Rotatable Bonds
5
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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