Rehmaglutin A
PubChem CID: 5320903
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| Compound Synonyms | Rehmaglutin A, CHEMBL2332356, (1R,4S,5R,6S,7R,11S)-2,10-dioxatricyclo(5.3.1.04,11)undecane-4,5,6-triol, (1R,4S,5R,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol, BDBM50429449, 103744-82-7 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Uniprot Id | P07900 |
| Iupac Name | (1R,4S,5R,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol |
| Prediction Hob | 1.0 |
| Xlogp | -1.7 |
| Molecular Formula | C9H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMQZZRSFTSGWJA-FJYMVOSHSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.325 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.029 |
| Compound Name | Rehmaglutin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 202.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.00882280000000013 |
| Inchi | InChI=1S/C9H14O5/c10-6-4-1-2-13-8-5(4)9(12,3-14-8)7(6)11/h4-8,10-12H,1-3H2/t4-,5-,6+,7-,8-,9-/m1/s1 |
| Smiles | C1CO[C@H]2[C@H]3[C@@H]1[C@@H]([C@H]([C@]3(CO2)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all