Glycoside
GD134211
Name:
N-[(5-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydroxyoxolan-2-yl)methyl]-2-methoxyacetamideFormula:
C20H28O6N3FSmiles:
COCC(O)=NCC1OC(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C(O)C1OAglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CN=C(O)COCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.46 | Num_heavy_atoms: | 30 |
| TPSA: | 115.06 | NumAromaticRings: | 1 |
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 |
AD47644
Formula: C4H9O2N
Smiles:
CN=C(O)COC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
