Ent-Gloeosteretriol
PubChem CID: 10800959
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| Compound Synonyms | Ent-Gloeosteretriol, (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol, (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta(a)pentalene-2,6a,7a-triol, CHEMBL4126222, CHEBI:214464 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MXIZCSZWQVEQQV-MRIXOBAXSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.468 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.308 |
| Compound Name | Ent-Gloeosteretriol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.456594 |
| Inchi | InChI=1S/C15H26O3/c1-9-10(16)5-15(18)8-14(17)7-12(2,3)6-11(14)13(9,15)4/h9-11,16-18H,5-8H2,1-4H3/t9-,10+,11+,13+,14+,15+/m0/s1 |
| Smiles | C[C@H]1[C@@H](C[C@@]2([C@]1([C@H]3CC(C[C@]3(C2)O)(C)C)C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients