Molecule

ID:134214

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₄O₇
Molecular Mass
458.54396
Exact Mass
458.23045343
Charge
0
InChI
InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17-,18+,20-,21+,22+,23+,24+,25-,26+/m0/s1
InChIKey
KBKUJJFDSHBPPA-ZNCGZLKOSA-N
Canonic Smiles
O[C@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)OC(=O)C)C)C
Isomeric Smiles
CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@]42[C@@H]1O4)CC[C@]1([C@@]3(CC[C@@H](C1)O)C)O)C)c1ccc(=O)oc1
Calculated Properties
JChem
Acid pKa
14.223748
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.5756432
LogD (pH = 7.4)
1.5756432
Log P
1.5756432
Molar Refractivity
118.2606
Polarizability
47.28477
Polar Surface Area
105.59
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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