Molecule

ID:119405

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₀O₁₁
Molecular Mass
518.5098
Exact Mass
518.17881178
Charge
0
InChI
InChI=1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22+,23-,24-,26-/m1/s1
InChIKey
GRDZTDZJQRPNCN-YIANMRPHSA-N
Canonic Smiles
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2CC=C(C)C)O[C@@H]([C@H](C3=O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
c12c(O[C@@H]([C@H](C1=O)O)c1ccc(cc1)O)c(c(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)cc2O)CC=C(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.54
LogD (pH = 5.5)
1.58
Log P
1.58
Rotatable Bonds
6
H Donor
7
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
8.44
Polar Surface Area
186.37
Polarizability
52.03
Molar Refractivity
129.02
LOG S
-4.06
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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