CID 101017493
PubChem CID: 101017493
Connections displayed (default: 10).
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| Topological Polar Surface Area | 140.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 584.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Prediction Hob | 0.0 |
| Xlogp | -1.6 |
| Molecular Formula | C19H32O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IZRMHEYYBIXPBM-CXIUWYNBSA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -3.267 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.154 |
| Compound Name | CID 101017493 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.21 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9953334000000007 |
| Inchi | InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1 |
| Smiles | C[C@H](C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Peumus Boldus (Plant) Rel Props:Source_db:cmaup_ingredients