Glycoside
GD108505
Name:
NoneFormula:
C24H27O5N4F3Smiles:
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O)Nc1ccc(F)cc1FAglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CNC(=O)Nc1ccc(F)cc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.5 | Num_heavy_atoms: | 36 |
| TPSA: | 114.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD21326
Formula: C12H15ON2F
Smiles:
CC(=O)N1CCN(c2ccc(F)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.26 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD35501
Formula: C8H8ON2F2
Smiles:
CNC(=O)Nc1ccc(F)cc1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.16 | Num_heavy_atoms: | 13 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
