Molecule

ID:129624

General Information
Structure
MolImage
Molecular Formula
C₃₀H₄₂O₇
Molecular Mass
514.65028
Exact Mass
514.29305368
Charge
0
InChI
InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/t19-,21+,22-,29-/m0/s1
InChIKey
UZHDGDDPOPDJGM-DQMXKZNWSA-N
Canonic Smiles
C/C=C(/C=C/C=C/[C@@H]([C@H]([C@H]([C@H](CCc1oc2c(O)c(OC)cc(c2c(=O)c1C)OC)C)OC)C)OC)\C
Isomeric Smiles
O=c1c2c(oc(c1C)CC[C@H](C)[C@H](OC)[C@H](C)[C@@H](OC)/C=C/C=C/C(=C/C)/C)c(O)c(OC)cc2OC
Calculated Properties
JChem
Acid pKa
9.058063
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
5.6586766
LogD (pH = 7.4)
5.6494274
Log P
5.658796
Molar Refractivity
150.6702
Polarizability
56.904724
Polar Surface Area
83.45
Rotatable Bonds
13
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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