Molecule
ID:119595
General Information
Molecular Formula
C₂₀H₂₂O₈
Molecular Mass
390.38388
Exact Mass
390.13146766
Charge
0
InChI
InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+
InChIKey
HSTZMXCBWJGKHG-OWOJBTEDSA-N
Canonic Smiles
OCC1OC(Oc2cc(/C=C/c3ccc(cc3)O)cc(c2)O)C(C(C1O)O)O
Isomeric Smiles
C1(C(C(C(C(O1)CO)O)O)O)Oc1cc(cc(/C=C/c2ccc(cc2)O)c1)O
Calculated Properties
JChem
Acid pKa
9.101978
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
1.1342149
LogD (pH = 7.4)
1.1257933
Log P
1.1343228
Molar Refractivity
99.5999
Polarizability
38.961105
Polar Surface Area
139.84
Rotatable Bonds
5
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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