(2S,10R,13S,15R)-2,10-dihydroxy-15-methyl-6-oxido-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
PubChem CID: 101751330
Connections displayed (default: 10).
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| Compound Synonyms | CHEBI:143061 |
|---|---|
| Topological Polar Surface Area | 75.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 511.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,10R,13S,15R)-2,10-dihydroxy-15-methyl-6-oxido-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.0 |
| Molecular Formula | C16H25NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WMUIASLWVLLWKH-YTTOLDSJSA-N |
| Fcsp3 | 0.9375 |
| Logs | -1.502 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.058 |
| Compound Name | (2S,10R,13S,15R)-2,10-dihydroxy-15-methyl-6-oxido-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.178 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 295.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6902497999999997 |
| Inchi | InChI=1S/C16H25NO4/c1-11-8-12-9-13(18)15(20)5-3-7-17(21)6-2-4-14(12,19)16(15,17)10-11/h11-12,19-20H,2-10H2,1H3/t11-,12+,14+,15+,16?,17?/m1/s1 |
| Smiles | C[C@@H]1C[C@H]2CC(=O)[C@]3(CCC[N+]4(C3(C1)[C@@]2(CCC4)O)[O-])O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Miyoshiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients