N-propyl-4-(3,7,12-trihydroxy-5,10,13,14-tetramethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamide
PubChem CID: 53399153
Connections displayed (default: 10).
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| Topological Polar Surface Area | 89.8 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 743.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-propyl-4-(3,7,12-trihydroxy-5,10,13,14-tetramethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamide |
| Prediction Hob | 0.0 |
| Xlogp | 4.8 |
| Molecular Formula | C28H49NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DAIDKOMWNKGKSP-UHFFFAOYSA-N |
| Fcsp3 | 0.9642857142857144 |
| Logs | -4.338 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.636 |
| Compound Name | N-propyl-4-(3,7,12-trihydroxy-5,10,13,14-tetramethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 463.366 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 463.366 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 463.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.544558600000001 |
| Inchi | InChI=1S/C28H49NO4/c1-6-14-29-23(33)9-7-8-18-10-12-27(4)24-20(15-22(32)28(18,27)5)26(3)13-11-19(30)16-25(26,2)17-21(24)31/h18-22,24,30-32H,6-17H2,1-5H3,(H,29,33) |
| Smiles | CCCNC(=O)CCCC1CCC2(C1(C(CC3C2C(CC4(C3(CCC(C4)O)C)C)O)O)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients