Glycoside
GD092420
Name:
NoneFormula:
C21H24O6N4Smiles:
N#CCCN(C(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1)c1ccccc1Aglycone:
N#CCCN(C(=O)c1ccc(N)nc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.45 | Num_heavy_atoms: | 31 |
| TPSA: | 159.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD40324
Formula: C15H14ON4
Smiles:
N#CCCN(C(=O)c1ccc(N)nc1)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 266.3 | Num_heavy_atoms: | 20 |
| TPSA: | 83.01 | NumAromaticRings: | 2 |
