Glycoside
GD001238
Name:
NoneFormula:
C11H17O14N4P3Smiles:
Nc1nc(O)c2ccn(C3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc(O)c2c(n1)[N]C=C2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.19 | Num_heavy_atoms: | 32 |
| TPSA: | 286.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD01140
Formula: C6H5ON4
Smiles:
Nc1nc(O)c2c(n1)[N]C=C2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 86.13 | NumAromaticRings: | 1 |
