Molecule

ID:103462

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₂O₈
Molecular Mass
448.50608
Exact Mass
448.20971798
Charge
0
InChI
InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3
InChIKey
OMHXSAMFEJVCPT-UHFFFAOYSA-N
Canonic Smiles
OCC1=CC2C3C(C3(C)C)(OC(=O)C)C(C(C2(C2C(C1)(O)C(=O)C(=C2)C)O)C)OC(=O)C
Isomeric Smiles
CC1C(OC(=O)C)C2(OC(=O)C)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C
Calculated Properties
JChem
Acid pKa
12.570371
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
0.10136804
LogD (pH = 7.4)
0.10136515
Log P
0.10136808
Molar Refractivity
114.0804
Polarizability
45.10134
Polar Surface Area
130.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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