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1-(2,7-Dihydroxy-5,6,10-trimethoxyphenanthren-1-yl)-3,4,9-trimethoxyphenanthrene-2,7-diol

PubChem CID: 100989757

Connections displayed (default: 10).
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Topological Polar Surface Area 136.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 44.0
Isotope Atom Count 0.0
Molecular Complexity 953.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-(2,7-dihydroxy-5,6,10-trimethoxyphenanthren-1-yl)-3,4,9-trimethoxyphenanthrene-2,7-diol
Prediction Hob 0.0
Xlogp 7.0
Molecular Formula C34H30O10
Prediction Swissadme 0.0
Inchi Key FAEKSGIHDACYAU-UHFFFAOYSA-N
Fcsp3 0.1764705882352941
Logs -5.822
Rotatable Bond Count 7.0
Logd 3.557
Compound Name 1-(2,7-Dihydroxy-5,6,10-trimethoxyphenanthren-1-yl)-3,4,9-trimethoxyphenanthrene-2,7-diol
Prediction Hob Swissadme 0.0
Exact Mass 598.184
Formal Charge 0.0
Monoisotopic Mass 598.184
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 598.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.9387538909090924
Inchi InChI=1S/C34H30O10/c1-39-23-14-20-26(17-8-7-16(35)13-19(17)23)33(43-5)34(44-6)30(38)28(20)29-21(36)10-9-18-25-15(12-24(40-2)27(18)29)11-22(37)31(41-3)32(25)42-4/h7-14,35-38H,1-6H3
Smiles COC1=CC2=CC(=C(C(=C2C3=C1C(=C(C=C3)O)C4=C(C(=C(C5=C6C=CC(=CC6=C(C=C54)OC)O)OC)OC)O)OC)OC)O
Nring 6.0
Defined Bond Stereocenter Count 0.0