Glycoside
GD076527
Name:
NoneFormula:
C19H26O6N3Smiles:
N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)cc1Aglycone:
N#Cc1ccc(C(=O)N2CCC([NH3+])CC2)cc1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.43 | Num_heavy_atoms: | 28 |
| TPSA: | 150.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD35277
Formula: C13H16ON3
Smiles:
N#Cc1ccc(C(=O)N2CCC([NH3+])CC2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.29 | Num_heavy_atoms: | 17 |
| TPSA: | 71.74 | NumAromaticRings: | 1 |
