Glycoside
GD097576
Name:
NoneFormula:
C21H26O6N5ClSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1cccc(Cl)c1CN1CCOCC1Aglycone:
NC(=O)C1=C(Nc2cccc(Cl)c2CN2CCOCC2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.91 | Num_heavy_atoms: | 32 |
| TPSA: | 155.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD41527
Formula: C16H17O2N5Cl
Smiles:
NC(=O)C1=C(Nc2cccc(Cl)c2CN2CCOCC2)[N]C=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.79 | Num_heavy_atoms: | 23 |
| TPSA: | 94.05 | NumAromaticRings: | 1 |
