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Gentiside F

PubChem CID: 46899161

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Compound Synonyms Gentiside F, ((16S)-16-methyloctadecyl) 2,3-dihydroxybenzoate, [(16S)-16-methyloctadecyl] 2,3-dihydroxybenzoate, CHEMBL1254271
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 412.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name [(16S)-16-methyloctadecyl] 2,3-dihydroxybenzoate
Prediction Hob 0.0
Xlogp 10.7
Molecular Formula C26H44O4
Prediction Swissadme 0.0
Inchi Key ZIYGPPWKTJHONC-QFIPXVFZSA-N
Fcsp3 0.7307692307692307
Logs -7.165
Rotatable Bond Count 19.0
Logd 4.253
Compound Name Gentiside F
Prediction Hob Swissadme 0.0
Exact Mass 420.324
Formal Charge 0.0
Monoisotopic Mass 420.324
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 420.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -8.0829308
Inchi InChI=1S/C26H44O4/c1-3-22(2)18-15-13-11-9-7-5-4-6-8-10-12-14-16-21-30-26(29)23-19-17-20-24(27)25(23)28/h17,19-20,22,27-28H,3-16,18,21H2,1-2H3/t22-/m0/s1
Smiles CC[C@H](C)CCCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0