Glycoside
GD085238
Name:
NoneFormula:
C21H30O6N3Smiles:
C[C@@H]1O[C@@H](OCC[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccc(C(=O)N2CCC([NH2+]CCO)CC2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.49 | Num_heavy_atoms: | 30 |
| TPSA: | 139.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD38132
Formula: C15H20O2N3
Smiles:
N#Cc1ccc(C(=O)N2CCC([NH2+]CCO)CC2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.34 | Num_heavy_atoms: | 20 |
| TPSA: | 80.94 | NumAromaticRings: | 1 |
