Glycoside
GD101138
Name:
NoneFormula:
C21H23O5N6ClSmiles:
Cc1cc(C(=O)N(C)C)ccc1Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1cc(C(=O)N(C)C)ccc1Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.89 | Num_heavy_atoms: | 32 |
| TPSA: | 145.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD42747
Formula: C16H14ON6Cl
Smiles:
Cc1cc(C(=O)N(C)C)ccc1Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.77 | Num_heavy_atoms: | 23 |
| TPSA: | 84.58 | NumAromaticRings: | 2 |
