Hyacinthacine B7
PubChem CID: 16736266
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| Compound Synonyms | hyacinthacine B7, (1S,2R,3R,5S,7R,8R)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol, CHEMBL437108 |
|---|---|
| Topological Polar Surface Area | 84.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Uniprot Id | A4XI97, Q58D55, P04066 |
| Iupac Name | (1S,2R,3R,5S,7R,8R)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol |
| Prediction Hob | 1.0 |
| Xlogp | -1.3 |
| Molecular Formula | C9H17NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PIBHCJDPQRCONN-ZLFMKPOPSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.137 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.139 |
| Compound Name | Hyacinthacine B7 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 203.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 203.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 203.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.24657559999999995 |
| Inchi | InChI=1S/C9H17NO4/c1-4-2-6(12)7-9(14)8(13)5(3-11)10(4)7/h4-9,11-14H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-/m0/s1 |
| Smiles | C[C@H]1C[C@H]([C@H]2N1[C@@H]([C@H]([C@H]2O)O)CO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scilla Socialis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all