Glycoside
GD001743
Name:
NoneFormula:
C21H20O8N5PCl2Smiles:
O=C(CP(=O)(O)O)OC[C@@H]1O[C@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COC(=O)CP(=O)(O)O.Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.28 | Num_heavy_atoms: | 35 |
| TPSA: | 189.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD01714
Formula: C3H7O5P
Smiles:
COC(=O)CP(=O)(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.06 | Num_heavy_atoms: | 9 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD01715
Formula: C14H8N5Cl2
Smiles:
Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.14 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
