Glycoside
GD136955
Name:
AicarFormula:
C9H15O8N4PSmiles:
N=C(O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1NAglycone:
COP(=O)(O)O.N=C(O)C1=C(N)[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.21 | Num_heavy_atoms: | 22 |
| TPSA: | 204.37 | 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 |
AD55349
Formula: C4H5ON4
Smiles:
N=C(O)C1=C(N)[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.11 | Num_heavy_atoms: | 9 |
| TPSA: | 96.56 | NumAromaticRings: | 0 |
