17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(methylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol
PubChem CID: 5320368
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| Topological Polar Surface Area | 35.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(methylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C24H44N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FLAMWHBGWKTYPW-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.257 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.777 |
| Compound Name | 17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(methylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.345 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.345 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 376.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1270998 |
| Inchi | InChI=1S/C24H44N2O/c1-15(26(5)6)17-9-10-18-16-7-8-20-22(27)21(25-4)12-14-24(20,3)19(16)11-13-23(17,18)2/h15-22,25,27H,7-14H2,1-6H3 |
| Smiles | CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4O)NC)C)C)N(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pachysandra Terminalis (Plant) Rel Props:Source_db:cmaup_ingredients