Glycoside
GD024083
Name:
NoneFormula:
C8H12O9N3PSmiles:
O=[N+]([O-])c1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)cn1Aglycone:
COP(=O)(O)O.O=[N+]([O-])C1=C[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 325.17 | Num_heavy_atoms: | 21 |
| TPSA: | 177.41 | NumAromaticRings: | 1 |
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 |
AD16120
Formula: C3H2O2N3
Smiles:
O=[N+]([O-])C1=C[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.07 | Num_heavy_atoms: | 8 |
| TPSA: | 69.6 | NumAromaticRings: | 0 |
