Glycoside
GD031958
Name:
NoneFormula:
C14H20O9N6P2Smiles:
Cn1cnn2c(=O)c3ncn([C@@H]4O[C@H](COP(C)(=O)O)[C@H](OP(C)(=O)O)[C@H]4O)c3nc12Aglycone:
COP(C)(=O)O.CP(=O)(O)O.Cn1cnn2c(=O)c3c(nc12)[N]C=N3Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.3 | Num_heavy_atoms: | 31 |
| TPSA: | 192.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD00991
Formula: CH5O3P
Smiles:
CP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.02 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD05390
Formula: C2H7O3P
Smiles:
COP(C)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.05 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD20540
Formula: C7H5ON6
Smiles:
Cn1cnn2c(=O)c3c(nc12)[N]C=N3| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 189.16 | Num_heavy_atoms: | 14 |
| TPSA: | 78.65 | NumAromaticRings: | 2 |
