Xgamxcsbeskvcd-llnzsdlksa-
PubChem CID: 44631180
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| Compound Synonyms | XGAMXCSBESKVCD-LLNZSDLKSA-, InChI=1/C15H28O4/c1-13(2,18)9-5-7-14(3)10(16)6-8-15(4,19)12(14)11(9)17/h9-12,16-19H,5-8H2,1-4H3/t9-,10-,11-,12?,14+,15+/m1/s1 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,4S,5R,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Is Pains | False |
| Molecular Formula | C15H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XGAMXCSBESKVCD-LLNZSDLKSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Xgamxcsbeskvcd-llnzsdlksa- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.199 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 272.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.206187 |
| Inchi | InChI=1S/C15H28O4/c1-13(2,18)9-5-7-14(3)10(16)6-8-15(4,19)12(14)11(9)17/h9-12,16-19H,5-8H2,1-4H3/t9-,10-,11-,12?,14+,15+/m1/s1 |
| Smiles | C[C@@]12CC[C@H]([C@H](C1[C@@](CC[C@H]2O)(C)O)O)C(C)(C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients