(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
PubChem CID: 162995268
Connections displayed (default: 10).
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| Topological Polar Surface Area | 118.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C19H24O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KOGLBBQAPGGJPT-ZWKOTPCHSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -2.387 |
| Rotatable Bond Count | 9.0 |
| Logd | 0.743 |
| Compound Name | (1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.147 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 380.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4310254888888894 |
| Inchi | InChI=1S/C19H24O8/c1-24-14-8-12(4-5-13(14)22)18(23)17(10-21)27-19-15(25-2)6-11(9-20)7-16(19)26-3/h4-8,17-18,20-23H,9-10H2,1-3H3/t17-,18+/m0/s1 |
| Smiles | COC1=CC(=CC(=C1O[C@@H](CO)[C@@H](C2=CC(=C(C=C2)O)OC)O)OC)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Wushanense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Scopolia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients