Glycoside
GD148190
Name:
1-(2,4-difluorophenyl)-3-[(5-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydroxyoxolan-2-yl)methyl]ureaFormula:
C24H27O5N4F3Smiles:
O=C(CC1OC(CN=C(O)Nc2ccc(F)cc2F)C(O)C1O)N1CCN(c2ccc(F)cc2)CC1Aglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CN=C(O)Nc1ccc(F)cc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.5 | Num_heavy_atoms: | 36 |
| TPSA: | 117.86 | 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 |
AD46245
Formula: C8H8ON2F2
Smiles:
CN=C(O)Nc1ccc(F)cc1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.16 | Num_heavy_atoms: | 13 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
