Glycoside
GD067549
Name:
NoneFormula:
C16H20O7N2Smiles:
COC(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1CC#NAglycone:
COC(=O)c1ccc(N)cc1CC#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 352.34 | Num_heavy_atoms: | 25 |
| TPSA: | 152.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD32191
Formula: C10H10O2N2
Smiles:
COC(=O)c1ccc(N)cc1CC#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.2 | Num_heavy_atoms: | 14 |
| TPSA: | 76.11 | NumAromaticRings: | 1 |
