Glycoside
GD001922
Name:
NoneFormula:
C25H37O10N3Smiles:
CC(=Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H]2OC(OC(C(=O)O)C(O)CO)O[C@H]2[C@H]1N(C)CAglycone:
CC(=Cc1ccc(N(C)C)cc1)C(=O)NC1C(O)C(O)C2OCOC2C1N(C)CSugarmoiety:
O=C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 539.58 | Num_heavy_atoms: | 38 |
| TPSA: | 181.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD01869
Formula: C21H31O5N3
Smiles:
CC(=Cc1ccc(N(C)C)cc1)C(=O)NC1C(O)C(O)C2OCOC2C1N(C)C| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 405.5 | Num_heavy_atoms: | 29 |
| TPSA: | 94.5 | NumAromaticRings: | 1 |
