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5,7-Dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-2-(4-hydroxyphenyl)chromen-4-one

PubChem CID: 102115497

Connections displayed (default: 10).
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Topological Polar Surface Area 163.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 41.0
Isotope Atom Count 0.0
Molecular Complexity 1060.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,7-dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-2-(4-hydroxyphenyl)chromen-4-one
Prediction Hob 0.0
Xlogp 5.4
Molecular Formula C31H20O10
Prediction Swissadme 0.0
Inchi Key TXGMSHTWMBVGQZ-UHFFFAOYSA-N
Fcsp3 0.032258064516129
Logs -5.127
Rotatable Bond Count 4.0
Logd 2.473
Compound Name 5,7-Dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-2-(4-hydroxyphenyl)chromen-4-one
Prediction Hob Swissadme 0.0
Exact Mass 552.106
Formal Charge 0.0
Monoisotopic Mass 552.106
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 552.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.960405175609758
Inchi InChI=1S/C31H20O10/c1-39-25-13-22(38)27-21(37)12-24(15-4-8-17(33)9-5-15)41-31(27)29(25)28-19(35)10-18(34)26-20(36)11-23(40-30(26)28)14-2-6-16(32)7-3-14/h2-13,32-35,38H,1H3
Smiles COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O
Nring 6.0
Defined Bond Stereocenter Count 0.0