Annoglaxin
PubChem CID: 10746306
Connections displayed (default: 10).
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| Compound Synonyms | annoglaxin, (2S)-4-[(6R,13R)-13-[(2R,5R)-5-[(1R,3S)-1,3-dihydroxytridecyl]oxolan-2-yl]-6,13-dihydroxy-10-oxotridecyl]-2-methyl-2H-furan-5-one, (2S)-4-((6R,13R)-13-((2R,5R)-5-((1R,3S)-1,3-dihydroxytridecyl)oxolan-2-yl)-6,13-dihydroxy-10-oxotridecyl)-2-methyl-2H-furan-5-one, CHEMBL455022, 231296-13-2 |
|---|---|
| Topological Polar Surface Area | 134.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 43.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 799.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2S)-4-[(6R,13R)-13-[(2R,5R)-5-[(1R,3S)-1,3-dihydroxytridecyl]oxolan-2-yl]-6,13-dihydroxy-10-oxotridecyl]-2-methyl-2H-furan-5-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.7 |
| Molecular Formula | C35H62O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MLGJWMBFVBVZQY-YKAMULJSSA-N |
| Fcsp3 | 0.8857142857142857 |
| Logs | -5.234 |
| Rotatable Bond Count | 26.0 |
| Logd | 4.22 |
| Compound Name | Annoglaxin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 610.444 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 610.444 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 610.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.163912600000004 |
| Inchi | InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-12-17-30(38)25-32(40)34-23-22-33(43-34)31(39)21-20-29(37)19-14-18-28(36)16-13-10-11-15-27-24-26(2)42-35(27)41/h24,26,28,30-34,36,38-40H,3-23,25H2,1-2H3/t26-,28+,30-,31+,32+,33+,34+/m0/s1 |
| Smiles | CCCCCCCCCC[C@@H](C[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCC(=O)CCC[C@@H](CCCCCC2=C[C@@H](OC2=O)C)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all