Glycoside
GD034789
Name:
NoneFormula:
C21H22O7N5PCl2Smiles:
CN(Cc1ccccc1Cl)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CN(Cc1ccccc1Cl)c1nc(Cl)nc2c1N=C[N]2.COCP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.29 | Num_heavy_atoms: | 34 |
| TPSA: | 163.29 | 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 |
AD22074
Formula: C15H10N5Cl2
Smiles:
CN(Cc1ccccc1Cl)c1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.16 | Num_heavy_atoms: | 20 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
