(1R,5S,6R,8S)-5,6,8-trihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one
PubChem CID: 6326008
Connections displayed (default: 10).
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| Topological Polar Surface Area | 81.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,5S,6R,8S)-5,6,8-trihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C16H25NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YCOAYVRPLHVBDP-XFWJRPRSSA-N |
| Fcsp3 | 0.9375 |
| Logs | -2.546 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.001 |
| Compound Name | (1R,5S,6R,8S)-5,6,8-trihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 295.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3437497999999997 |
| Inchi | InChI=1S/C16H25NO4/c1-14(21)9-12(19)15-4-2-6-17-7-3-5-16(15,17)11(18)8-10(15)13(14)20/h10,12-13,19-21H,2-9H2,1H3/t10?,12-,13-,14+,15?,16-/m0/s1 |
| Smiles | C[C@]1(C[C@@H](C23CCCN4[C@@]2(CCC4)C(=O)CC3[C@@H]1O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients