Molecule

ID:127366

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄O₁₂
Molecular Mass
492.42946
Exact Mass
492.12677621
Charge
0
InChI
InChI=1S/C23H24O12/c1-8-15(26)18(29)19(30)23(33-8)35-22-17(28)14-12(7-13(31-2)21(32-3)16(14)27)34-20(22)9-4-5-10(24)11(25)6-9/h4-8,15,18-19,23-27,29-30H,1-3H3
InChIKey
NVZCGVLCUJLTSA-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)cc2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC1OC(C)C(C(C1O)O)O
Isomeric Smiles
CC1C(C(C(C(O1)Oc1c(oc2cc(c(c(c2c1=O)O)OC)OC)c1cc(c(cc1)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
8.401845
H Acceptors
12
H Donor
6
LogD (pH = 5.5)
0.8897574
LogD (pH = 7.4)
0.84858775
Log P
0.8902975
Molar Refractivity
118.6773
Polarizability
45.95158
Polar Surface Area
184.6
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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