Glycoside
GD036575
Name:
NoneFormula:
C21H24O7N4PClSmiles:
C[C@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
CC(Nc1cc(Cl)nc2c1C=N[N]2)c1ccccc1.COCP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.86 | Num_heavy_atoms: | 33 |
| TPSA: | 159.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD01581
Formula: C2H7O4P
Smiles:
COCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23056
Formula: C15H12N4Cl
Smiles:
CC(Nc1cc(Cl)nc2c1C=N[N]2)c1ccccc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 271.73 | Num_heavy_atoms: | 19 |
| TPSA: | 51.38 | NumAromaticRings: | 2 |
