Glycoside
GD086303
Name:
NoneFormula:
C20H25O5N7Smiles:
Nc1nc2c(nc(N3CCN(c4ccccc4)CC3)n2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(N1CCN(c3ccccc3)CC1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 443.46 | Num_heavy_atoms: | 32 |
| TPSA: | 165.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD38279
Formula: C15H16ON7
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(N1CCN(c3ccccc3)CC1)[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 310.34 | Num_heavy_atoms: | 23 |
| TPSA: | 104.71 | NumAromaticRings: | 2 |
