1-(2,7-Dihydroxy-3,4,9-trimethoxyphenanthren-1-yl)-3,4,9-trimethoxyphenanthrene-2,7-diol
PubChem CID: 100989756
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 | 879.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,7-dihydroxy-3,4,9-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 | DPBXUMRHNZGPCT-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -5.13 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.447 |
| Compound Name | 1-(2,7-Dihydroxy-3,4,9-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/c1-39-23-13-21-25(17-9-7-15(35)11-19(17)23)31(41-3)33(43-5)29(37)27(21)28-22-14-24(40-2)20-12-16(36)8-10-18(20)26(22)32(42-4)34(44-6)30(28)38/h7-14,35-38H,1-6H3 |
| Smiles | COC1=C2C=C(C=CC2=C3C(=C1)C(=C(C(=C3OC)OC)O)C4=C(C(=C(C5=C6C=CC(=CC6=C(C=C54)OC)O)OC)OC)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients