Glycoside
GD076517
Name:
NoneFormula:
C16H18O7N3ClSmiles:
COC(=O)Cc1cc(Cl)nc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1C#NAglycone:
COC(=O)Cc1cc(Cl)nc(N)c1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.78 | Num_heavy_atoms: | 26 |
| TPSA: | 165.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD35273
Formula: C10H8O2N3Cl
Smiles:
COC(=O)Cc1cc(Cl)nc(N)c1C#N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.63 | Num_heavy_atoms: | 15 |
| TPSA: | 89.0 | NumAromaticRings: | 1 |
