Glycoside
GD136782
Name:
3-chloro-4-fluoro-N-[(5-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydroxyoxolan-2-yl)methyl]benzamideFormula:
C25H26O5N3F2ClSmiles:
O=C(CC1OC(CN=C(O)c2ccc(F)c(Cl)c2)C(O)C1O)N1CCN(c2ccc(F)cc2)CC1Aglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CN=C(O)c1ccc(F)c(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 509.94 | Num_heavy_atoms: | 35 |
| TPSA: | 105.83 | 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 |
AD47381
Formula: C9H7ONFCl
Smiles:
CN=C(O)c1ccc(F)c(Cl)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 187.6 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
