Glycoside
GD037260
Name:
NoneFormula:
C22H26O9N5P2ClSmiles:
CN(c1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]1O)[C@@H]1CCc2ccccc21Aglycone:
CN(c1nc(Cl)nc2c1C=N[N]2)C1CCc2ccccc21.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 589.87 | Num_heavy_atoms: | 38 |
| TPSA: | 200.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD23484
Formula: C16H13N5Cl
Smiles:
CN(c1nc(Cl)nc2c1C=N[N]2)C1CCc2ccccc21| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.76 | Num_heavy_atoms: | 21 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
