Decarestrictine D
PubChem CID: 6507065
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| Compound Synonyms | Decarestrictine D, (4S,5S,6E,8S,10R)-4,5,8-trihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one, MEGxm0_000319, ACon0_000184, ACon1_002336, CHEBI:181169, AKOS040739766, (2R,4S,5E,7S,8S)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one, NCGC00380632-01, HY-125732, CS-0093439, NCGC00380632-01_C10H16O5_(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 250.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,4S,5E,7S,8S)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Molecular Formula | C10H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWMMWMJBUOCCFZ-XYEXOTNWSA-N |
| Fcsp3 | 0.7 |
| Logs | -0.904 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.185 |
| Compound Name | Decarestrictine D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 216.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -0.6451445999999998 |
| Inchi | InChI=1S/C10H16O5/c1-6-4-7(11)2-3-8(12)9(13)5-10(14)15-6/h2-3,6-9,11-13H,4-5H2,1H3/b3-2+/t6-,7-,8+,9+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H](/C=C/[C@@H]([C@H](CC(=O)O1)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dicentra Cucullaria (Plant) Rel Props:Source_db:cmaup_ingredients