Glycoside
GD132536
Name:
2-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-N-(propan-2-yl)acetamideFormula:
C17H24O5N3FSmiles:
CC(C)N=C(O)CC1OC(CN=C(O)Nc2cccc(F)c2)C(O)C1OAglycone:
CC(O)=NC(C)C.CN=C(O)Nc1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 369.39 | Num_heavy_atoms: | 26 |
| TPSA: | 126.9 | NumAromaticRings: | 1 |
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 |
AD45654
Formula: C5H11ON
Smiles:
CC(O)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
