Molecule

ID:73273

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂O₁₀
Molecular Mass
374.33988
Exact Mass
374.1212969
Charge
0
InChI
InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey
ZJDOESGVOWAULF-OGJQONSISA-N
Canonic Smiles
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=CC3)CO)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
C1=C([C@@H]2[C@H]([C@@H](O1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=CC2)CO)C(=O)O
Calculated Properties
JChem
Acid pKa
4.222503
H Acceptors
10
H Donor
6
LogD (pH = 5.5)
-3.8913703
LogD (pH = 7.4)
-5.6119847
Log P
-2.5939586
Molar Refractivity
83.7375
Polarizability
33.57636
Polar Surface Area
166.14
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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