Glycoside
GD001303
Name:
NoneFormula:
C20H21O8N5PClSmiles:
O=P([O-])([O-])OCC(Cc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=P([O-])([O-])OCC(Cc1ccccc1)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 513.83 | Num_heavy_atoms: | 34 |
| TPSA: | 197.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD01338
Formula: C15H12O4N5PCl
Smiles:
O=P([O-])([O-])OCC(Cc1ccccc1)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 380.71 | Num_heavy_atoms: | 25 |
| TPSA: | 136.69 | NumAromaticRings: | 2 |
