Glycoside
GD123349
Name:
2-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamideFormula:
C22H26O6N3FSmiles:
COc1ccc(CN=C(O)CC2OC(CN=C(O)Nc3cccc(F)c3)C(O)C2O)cc1Aglycone:
CN=C(O)Nc1cccc(F)c1.COc1ccc(CN=C(C)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 447.46 | Num_heavy_atoms: | 32 |
| TPSA: | 136.13 | 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 |
AD47632
Formula: C10H13O2N
Smiles:
COc1ccc(CN=C(C)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 41.82 | NumAromaticRings: | 1 |
