Glycoside
GD104244
Name:
NoneFormula:
C25H27O5N3FClSmiles:
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)[C@H](O)[C@@H]1O)c1ccc(F)c(Cl)c1Aglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CNC(=O)c1ccc(F)c(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.95 | Num_heavy_atoms: | 34 |
| TPSA: | 102.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD21283
Formula: C12H16ON2
Smiles:
CC(=O)N1CCN(c2ccccc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD38154
Formula: C9H7ONFCl
Smiles:
CNC(=O)c1ccc(F)c(Cl)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 187.6 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
