Glycoside
GD004061
Name:
REGADENOSONFormula:
C15H18O5N8Smiles:
CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
CNC(=O)c1cnn(-c2nc(N)c3c(n2)[N]C=N3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.36 | Num_heavy_atoms: | 28 |
| TPSA: | 186.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD03600
Formula: C10H9ON8
Smiles:
CNC(=O)c1cnn(-c2nc(N)c3c(n2)[N]C=N3)c1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.24 | Num_heavy_atoms: | 19 |
| TPSA: | 125.18 | NumAromaticRings: | 2 |
