Glycoside
GD004622
Name:
NoneFormula:
C19H20O5N5ClSmiles:
COc1ccc(Cl)cc1CNc1ncnc2c1ncn2[C@@H]1OC[C@](O)(CO)[C@H]1OAglycone:
COc1ccc(Cl)cc1CNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.84 | Num_heavy_atoms: | 29 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD04012
Formula: C14H11ON5Cl
Smiles:
COc1ccc(Cl)cc1CNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.72 | Num_heavy_atoms: | 20 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
