Glycoside
GD117274
Name:
N-cyclopropyl-2-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]acetamideFormula:
C17H22O5N3FSmiles:
OC(CC1OC(CN=C(O)Nc2cccc(F)c2)C(O)C1O)=NC1CC1Aglycone:
CC(O)=NC1CC1.CN=C(O)Nc1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 367.38 | 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 |
AD45667
Formula: C5H9ON
Smiles:
CC(O)=NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
