Glycoside
GD083850
Name:
NoneFormula:
C18H20O7N3ClSmiles:
CCOC(=O)c1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc2nc(Cl)ccc12Aglycone:
CCOC(=O)c1cc(N)nc2nc(Cl)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 413.81 | Num_heavy_atoms: | 28 |
| TPSA: | 154.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD37380
Formula: C12H10O2N3Cl
Smiles:
CCOC(=O)c1cc(N)nc2nc(Cl)ccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.67 | Num_heavy_atoms: | 17 |
| TPSA: | 78.1 | NumAromaticRings: | 2 |
