Glycoside
GD114277
Name:
N-[(5-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydroxyoxolan-2-yl)methyl]cyclopropanecarboxamideFormula:
C21H28O5N3FSmiles:
O=C(CC1OC(CN=C(O)C2CC2)C(O)C1O)N1CCN(c2ccc(F)cc2)CC1Aglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CN=C(O)C1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.47 | Num_heavy_atoms: | 30 |
| TPSA: | 105.83 | 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 |
AD44951
Formula: C5H9ON
Smiles:
CN=C(O)C1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
