Molecule
ID:78874
General Information
Molecular Formula
C₃₀H₂₆O₅
Molecular Mass
466.52444
Exact Mass
466.17802393
Charge
0
InChI
InChI=1S/C30H26O5/c1-33-25-16-20(17-26(34-2)30(25)35-3)27(28-21-10-6-4-8-18(21)12-14-23(28)31)29-22-11-7-5-9-19(22)13-15-24(29)32/h4-17,27,31-32H,1-3H3
InChIKey
IKXMHCWCVGLADP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C(c1c(O)ccc2c1cccc2)c1c(O)ccc2c1cccc2
Isomeric Smiles
O(c1c(cc(cc1OC)C(c1c(ccc2ccccc12)O)c1c(ccc2ccccc12)O)OC)C
Calculated Properties
JChem
Acid pKa
9.591193
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
6.384637
LogD (pH = 7.4)
6.3818974
Log P
6.384672
Molar Refractivity
136.6906
Polarizability
55.119263
Polar Surface Area
68.15
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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