1-O-propanoyllycorine
PubChem CID: 44570339
Connections displayed (default: 10).
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| Compound Synonyms | 1-O-propanoyllycorine, CHEMBL465296 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 592.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(1S,17S,18S,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C19H21NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UEHWEXPUCDLSTI-NOENWEJRSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -2.834 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.061 |
| Compound Name | 1-O-propanoyllycorine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 343.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 343.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 343.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.591149800000001 |
| Inchi | InChI=1S/C19H21NO5/c1-2-16(22)25-19-13(21)5-10-3-4-20-8-11-6-14-15(24-9-23-14)7-12(11)17(19)18(10)20/h5-7,13,17-19,21H,2-4,8-9H2,1H3/t13-,17-,18+,19+/m0/s1 |
| Smiles | CCC(=O)O[C@@H]1[C@H](C=C2CCN3[C@H]2[C@@H]1C4=CC5=C(C=C4C3)OCO5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycoris Traubii (Plant) Rel Props:Source_db:cmaup_ingredients