Glycoside
GD085983
Name:
NoneFormula:
C22H25O5N2FSmiles:
Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NCc3ccc(F)cc3)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)NCc1ccc(F)cc1.CNC(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.45 | Num_heavy_atoms: | 30 |
| TPSA: | 107.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD21339
Formula: C9H11ON
Smiles:
CNC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD22745
Formula: C9H10ONF
Smiles:
CC(=O)NCc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.18 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
