Glycoside
GD012613
Name:
NoneFormula:
C19H19O4N6ClSmiles:
CNC(=O)[C@@H]1OC(n2cnc3c(NCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.84 | Num_heavy_atoms: | 29 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD08742
Formula: C13H9N5Cl
Smiles:
Clc1ccc(CNc2ncnc3c2N=C[N]3)cc1| 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 |
