Glycoside
GD080884
Name:
NoneFormula:
C17H22O7N3ClSmiles:
O=C(c1cnc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(Cl)c1)N1CCOCC1Aglycone:
Nc1ncc(C(=O)N2CCOCC2)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 403.82 | Num_heavy_atoms: | 27 |
| TPSA: | 144.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD36517
Formula: C11H12O2N3Cl
Smiles:
Nc1ncc(C(=O)N2CCOCC2)cc1Cl| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 241.68 | Num_heavy_atoms: | 16 |
| TPSA: | 68.45 | NumAromaticRings: | 1 |
