Glycoside
GD080896
Name:
NoneFormula:
C16H20O6N4Cl2Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2c(Cl)nc(N3CCOCC3)nc2Cl)[C@@H](O)[C@@H]1OAglycone:
Nc1c(Cl)nc(N2CCOCC2)nc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.24 | Num_heavy_atoms: | 26 |
| TPSA: | 140.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD36519
Formula: C10H10ON4Cl2
Smiles:
Nc1c(Cl)nc(N2CCOCC2)nc1Cl| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 249.1 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
