Molecule

ID:129426

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄O₁₀
Molecular Mass
388.36646
Exact Mass
388.13694697
Charge
0
InChI
InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1
InChIKey
CSKKDSFETGLMSB-NRZPKYKESA-N
Canonic Smiles
O=CC[C@H]1[C@@H](C=C)[C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.69
LogD (pH = 5.5)
-1.69
Log P
-1.69
Rotatable Bonds
8
H Donor
4
H Acceptors
9
Lipinski's Rule of Five
true
Acid pKa
12.21
Polar Surface Area
151.98
Polarizability
37.38
Molar Refractivity
88.52
LOG S
-0.36
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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