Chushizisins D
PubChem CID: 45269748
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| Compound Synonyms | CHUSHIZISINS D, CHEMBL550571 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,2R)-1-(4-hydroxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C19H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMRAGNBQNZWMMG-MOPGFXCFSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -2.249 |
| Rotatable Bond Count | 9.0 |
| Logd | 1.632 |
| Compound Name | Chushizisins D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 348.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8133490000000005 |
| Inchi | InChI=1S/C19H24O6/c1-24-17-11-13(3-2-10-20)4-9-16(17)25-18(12-21)19(23)14-5-7-15(22)8-6-14/h4-9,11,18-23H,2-3,10,12H2,1H3/t18-,19+/m1/s1 |
| Smiles | COC1=C(C=CC(=C1)CCCO)O[C@H](CO)[C@H](C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all