Glycoside
GD002465
Name:
NoneFormula:
C13H17O7N4PSmiles:
Nc1ccccc1-c1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)nn1Aglycone:
COP(=O)(O)O.Nc1ccccc1C1=C[N]N=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.27 | Num_heavy_atoms: | 25 |
| TPSA: | 173.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD02352
Formula: C8H7N4
Smiles:
Nc1ccccc1C1=C[N]N=N1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.17 | Num_heavy_atoms: | 12 |
| TPSA: | 64.84 | NumAromaticRings: | 1 |
