Glycoside
GD035345
Name:
NoneFormula:
C20H21O9N5PClSmiles:
O=C(O)C(OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@H]1O)P(=O)(O)OAglycone:
COC(C(=O)O)P(=O)(O)O.Clc1nc2c(c(NCc3ccccc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 529.83 | Num_heavy_atoms: | 35 |
| TPSA: | 209.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD01702
Formula: C13H9N5Cl
Smiles:
Clc1nc2c(c(NCc3ccccc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD19742
Formula: C3H7O6P
Smiles:
COC(C(=O)O)P(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 170.06 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
