Glycoside
GD012509
Name:
NoneFormula:
C19H18O5N7ClSmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
O=C(Nc1cccc(Cl)c1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.84 | Num_heavy_atoms: | 31 |
| TPSA: | 163.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD09421
Formula: C13H8ON6Cl
Smiles:
O=C(Nc1cccc(Cl)c1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 287.69 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
