Molecule

ID:127020

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₈O₁₀
Molecular Mass
464.46242
Exact Mass
464.1682471
Charge
0
InChI
InChI=1S/C23H28O10/c1-29-15-5-3-11(7-18(15)30-2)14-6-4-13-16(31-14)8-12(25)9-17(13)32-23-22(28)21(27)20(26)19(10-24)33-23/h3,5,7-9,14,19-28H,4,6,10H2,1-2H3/t14-,19?,20-,21-,22-,23+/m0/s1
InChIKey
ZNWIOJJMPZWSQO-VFAYYJTESA-N
Canonic Smiles
OCC1O[C@@H](Oc2cc(O)cc3c2CC[C@H](O3)c2ccc(c(c2)OC)OC)[C@H]([C@H]([C@H]1O)O)O
Isomeric Smiles
c1(ccc(cc1OC)[C@H]1Oc2c(CC1)c(O[C@H]1[C@@H](O)[C@H]([C@H](C(O1)CO)O)O)cc(O)c2)OC
Calculated Properties
JChem
Acid pKa
9.802864
H Acceptors
10
H Donor
5
LogD (pH = 5.5)
0.8937091
LogD (pH = 7.4)
0.89202684
Log P
0.89373064
Molar Refractivity
113.7472
Polarizability
45.278927
Polar Surface Area
147.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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