CID 24899655
PubChem CID: 24899655
Connections displayed (default: 10).
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| Compound Synonyms | Ymf 1029D, CHEMBL485874, CHEBI:219010, (1S,2R,4R,5R,12R)-5,7-dihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaen-15-one |
|---|---|
| Topological Polar Surface Area | 97.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 712.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2R,4R,5R,12R)-5,7-dihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaen-15-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C20H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMEFIGLUOCJXJM-WAPOTWQKSA-N |
| Fcsp3 | 0.35 |
| Logs | -4.573 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.711 |
| Compound Name | CID 24899655 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 366.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.837003888888889 |
| Inchi | InChI=1S/C20H14O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-5,16-18,22-23H,6-7H2/t16-,17-,18-,19-,20+/m1/s1 |
| Smiles | C1C[C@]23C4=C(C1=O)C=CC=C4O[C@@]5(O2)[C@H]6[C@H](O6)[C@@H](C7=C(C=CC(=C57)O3)O)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Strychnos Angustiflora (Plant) Rel Props:Source_db:cmaup_ingredients