Glycoside
GD105880
Name:
NoneFormula:
C16H19O10N10PSmiles:
Nc1nc(=O)c2nc(C(=O)O[C@@H]3[C@@H](CO[PH](O)(O)O)O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)[C@@H]3O)[nH]c2[nH]1Aglycone:
CO[PH](O)(O)O.Nc1nc(=O)c2c([nH]1)[N]C=N2.Nc1nc(=O)c2nc(C(=O)O)[nH]c2[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.31 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 542.36 | Num_heavy_atoms: | 37 |
| TPSA: | 315.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD01192
Formula: C5H4ON5
Smiles:
Nc1nc(=O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
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 |
AD44086
Formula: C6H5O3N5
Smiles:
Nc1nc(=O)c2nc(C(=O)O)[nH]c2[nH]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 195.14 | Num_heavy_atoms: | 14 |
| TPSA: | 137.75 | NumAromaticRings: | 2 |
