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 |
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