1,3,8-Tris[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol
PubChem CID: 162941943
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| Topological Polar Surface Area | 110.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 829.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,8-tris[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 8.4 |
| Molecular Formula | C36H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BGRSRBNNHSGUBT-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -2.992 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.011 |
| Compound Name | 1,3,8-Tris[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 558.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 558.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 558.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.684715523809526 |
| Inchi | InChI=1S/C36H30O6/c1-42-36-32(20-23-6-12-26(39)13-7-23)35(41)31(19-22-4-10-25(38)11-5-22)29-15-14-27-28(34(29)36)16-17-33(40)30(27)18-21-2-8-24(37)9-3-21/h2-17,37-41H,18-20H2,1H3 |
| Smiles | COC1=C2C3=C(C=CC2=C(C(=C1CC4=CC=C(C=C4)O)O)CC5=CC=C(C=C5)O)C(=C(C=C3)O)CC6=CC=C(C=C6)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Lungshengensis (Plant) Rel Props:Source_db:cmaup_ingredients