Molecule

ID:128844

General Information
Structure
MolImage
Molecular Formula
C₃₄H₂₄O₂₂
Molecular Mass
784.54116
Exact Mass
784.07592241
Charge
0
InChI
InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2
InChIKey
IYMHVUYNBVWXKH-UHFFFAOYSA-N
Canonic Smiles
OC1OC2COC(=O)c3cc(O)c(c(c3c3c(C(=O)OC2C2C1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)O
Isomeric Smiles
C1C2C(C3C(C(O2)O)OC(=O)c2cc(c(c(c2c2c(c(c(cc2C(=O)O3)O)O)O)O)O)O)OC(=O)c2cc(c(c(c2c2c(c(c(cc2C(=O)O1)O)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
7.2507887
H Acceptors
18
H Donor
13
LogD (pH = 5.5)
1.9462095
LogD (pH = 7.4)
1.4394286
Log P
1.9538354
Molar Refractivity
177.1386
Polarizability
70.16922
Polar Surface Area
377.42
Rotatable Bonds
0
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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