Glycoside
GD142535
Name:
2-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-N-[(pyridin-3-yl)methyl]acetamideFormula:
C20H23O5N4FSmiles:
OC(CC1OC(CN=C(O)Nc2cccc(F)c2)C(O)C1O)=NCc1cccnc1Aglycone:
CC(O)=NCc1cccnc1.CN=C(O)Nc1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.43 | Num_heavy_atoms: | 30 |
| TPSA: | 139.79 | 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 |
AD46357
Formula: C8H10ON2
Smiles:
CC(O)=NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 45.48 | NumAromaticRings: | 1 |
