N-[(1S,2S,4S,5R,6S,7S,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]dec-2-enamide
PubChem CID: 163048079
Connections displayed (default: 10).
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| Topological Polar Surface Area | 119.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 578.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | N-[(1S,2S,4S,5R,6S,7S,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]dec-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C19H29NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RPNMQCNKXLDNIP-NGOZCYFLSA-N |
| Fcsp3 | 0.7894736842105263 |
| Logs | -2.792 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.746 |
| Compound Name | N-[(1S,2S,4S,5R,6S,7S,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]dec-2-enamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 367.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 367.199 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 367.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.4154404 |
| Inchi | InChI=1S/C19H29NO6/c1-2-3-4-5-6-7-8-9-12(21)20-11-10-19(25)17(24)13(14(11)22)15(23)16-18(19)26-16/h8-9,11,13-16,18,22-23,25H,2-7,10H2,1H3,(H,20,21)/t11-,13-,14+,15+,16-,18-,19+/m0/s1 |
| Smiles | CCCCCCCC=CC(=O)N[C@H]1C[C@@]2([C@@H]3[C@@H](O3)[C@@H]([C@H]([C@@H]1O)C2=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Silicicola (Plant) Rel Props:Source_db:cmaup_ingredients