Pingpeimine B
PubChem CID: 5320602
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Pingpeimine B |
|---|---|
| Topological Polar Surface Area | 125.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 842.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-1,10,12,14,17,20-hexol |
| Prediction Hob | 0.0 |
| Xlogp | 0.7 |
| Molecular Formula | C27H45NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMUQUHYFVPYNMA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.951 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.215 |
| Compound Name | Pingpeimine B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 479.325 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 479.325 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 479.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2422796000000016 |
| Inchi | InChI=1S/C27H45NO6/c1-14-4-5-22-25(3,32)23-19(13-28(22)12-14)26(33)10-18-16(27(26,34)11-21(23)31)9-20(30)17-8-15(29)6-7-24(17,18)2/h14-23,29-34H,4-13H2,1-3H3 |
| Smiles | CC1CCC2C(C3C(CC4(C5CC(C6CC(CCC6(C5CC4(C3CN2C1)O)C)O)O)O)O)(C)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fritillaria Ussuriensis (Plant) Rel Props:Source_db:cmaup_ingredients