Glycoside
GD099996
Name:
NoneFormula:
C25H30O6N3FSmiles:
COc1ccccc1N1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)c3cccc(F)c3)[C@@H](O)[C@H]2O)CC1Aglycone:
CNC(=O)c1cccc(F)c1.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 487.53 | Num_heavy_atoms: | 35 |
| TPSA: | 111.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD21327
Formula: C8H8ONF
Smiles:
CNC(=O)c1cccc(F)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.16 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD22014
Formula: C13H18O2N2
Smiles:
COc1ccccc1N1CCN(C(C)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
