Glycoside
GD003594
Name:
PROPIKACINFormula:
C21H43O12N5Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@H]3O)[C@@H](NC(CO)CO)C[C@H]2N)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(NC(CO)CO)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -8.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 557.6 | Num_heavy_atoms: | 38 |
| TPSA: | 314.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD03250
Formula: C9H20O5N2
Smiles:
NC1CC(NC(CO)CO)C(O)C(O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.27 | Num_heavy_atoms: | 16 |
| TPSA: | 139.2 | NumAromaticRings: | 0 |
