Molecule

ID:134356

General Information
Structure
MolImage
Molecular Formula
C₃₆H₅₈O₂₈
Molecular Mass
938.82892
Exact Mass
938.31146122
Charge
0
InChI
InChI=1S/C36H58O28/c37-1-8(41)24-25(9(42)5-52-24)60-33-20(48)28(16(44)11(3-39)56-33)63-36-23(51)31-27(14(59-36)7-54-31)62-34-21(49)29(17(45)12(4-40)57-34)64-35-22(50)30-26(13(58-35)6-53-30)61-32-19(47)18(46)15(43)10(2-38)55-32/h8-51H,1-7H2/t8-,9+,10-,11-,12-,13+,14+,15+,16+,17+,18+,19-,20-,21-,22+,23+,24+,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+/m1/s1
InChIKey
MDDTZRQNBOQDHS-NRTBGCROSA-N
Canonic Smiles
OC[C@H]1O[C@@H](O[C@@H]2[C@@H]3CO[C@H]2[C@@H]([C@@H](O3)O[C@H]2[C@@H](O)[C@@H](CO)O[C@H]([C@@H]2O)O[C@@H]2[C@@H](O)CO[C@H]2[C@@H](CO)O)O)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O
Isomeric Smiles
C1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]1[C@H]([C@H]2[C@@H]([C@@H](O1)CO2)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]1[C@H]([C@H]2[C@@H]([C@@H](O1)CO2)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.6103735
H Acceptors
28
H Donor
15
LogD (pH = 5.5)
-9.099087
LogD (pH = 7.4)
-9.099113
Log P
-9.099087
Molar Refractivity
189.9398
Polarizability
80.82972
Polar Surface Area
423.44
Rotatable Bonds
15
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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