Molecule

ID:110488

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₈O₁₉
Molecular Mass
678.58992
Exact Mass
678.200729
Charge
0
InChI
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1
InChIKey
WOTQVEKSRLZRSX-AXXYRMHMSA-N
Canonic Smiles
CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Isomeric Smiles
CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Calculated Properties
JChem
H Acceptors
11
H Donor
0
LogD (pH = 5.5)
-1.1743716
LogD (pH = 7.4)
-1.1743716
Log P
-1.1743716
Molar Refractivity
141.5487
Polarizability
59.79338
Polar Surface Area
238.09
Rotatable Bonds
20
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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