2-[[2-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxyphenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxyphenol
PubChem CID: 118715048
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| Compound Synonyms | CHEMBL3337985 |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 753.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[2-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxyphenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxyphenol |
| Prediction Hob | 0.0 |
| Xlogp | 6.7 |
| Molecular Formula | C33H36O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MYXFYTSPQNYZQQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -4.044 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.129 |
| Compound Name | 2-[[2-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxyphenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 560.241 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 560.241 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 560.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.20335733170732 |
| Inchi | InChI=1S/C33H36O8/c1-38-24-17-23(10-7-21-9-12-28(35)33(15-21)41-4)25(30(37)18-24)19-26-29(36)13-22(16-31(26)39-2)6-5-20-8-11-27(34)32(14-20)40-3/h8-9,11-18,34-37H,5-7,10,19H2,1-4H3 |
| Smiles | COC1=CC(=C(C(=C1)O)CC2=C(C=C(C=C2OC)CCC3=CC(=C(C=C3)O)OC)O)CCC4=CC(=C(C=C4)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients