Glycoside
GD052722
Name:
NoneFormula:
C9H17O8N4PSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]2O)c1NAglycone:
CO[PH](O)(O)O.NC(=O)C1=C(N)[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.23 | Num_heavy_atoms: | 22 |
| TPSA: | 206.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD01700
Formula: C4H5ON4
Smiles:
NC(=O)C1=C(N)[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.11 | Num_heavy_atoms: | 9 |
| TPSA: | 95.57 | NumAromaticRings: | 0 |
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
