Glycoside
GD141421
Name:
2-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamideFormula:
C21H23O5N3F2Smiles:
OC(CC1OC(CN=C(O)Nc2cccc(F)c2)C(O)C1O)=NCc1ccc(F)cc1Aglycone:
CC(O)=NCc1ccc(F)cc1.CN=C(O)Nc1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 435.43 | Num_heavy_atoms: | 31 |
| TPSA: | 126.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD44877
Formula: C8H9ON2F
Smiles:
CN=C(O)Nc1cccc(F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.17 | Num_heavy_atoms: | 12 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
AD45426
Formula: C9H10ONF
Smiles:
CC(O)=NCc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.18 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
