(-)-Bilobalide, analytical standard
PubChem CID: 16219059
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| Compound Synonyms | (-)-Bilobalide, analytical standard |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 650.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,4R,7R,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C15H18O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MOLPUWBMSBJXER-DXPZGIEZSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.045 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.34 |
| Compound Name | (-)-Bilobalide, analytical standard |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 326.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6269662 |
| Inchi | InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13+,14+,15?/m0/s1 |
| Smiles | CC(C)(C)[C@@]1(C[C@H]2[C@]3(C14[C@H](C(=O)O[C@H]4OC3=O)O)CC(=O)O2)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients