Glycoside
GD125073
Name:
3-[(5-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydroxyoxolan-2-yl)methyl]-1-(3-methoxyphenyl)ureaFormula:
C25H31O6N4FSmiles:
COc1cccc(NC(O)=NCC2OC(CC(=O)N3CCN(c4ccc(F)cc4)CC3)C(O)C2O)c1Aglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CN=C(O)Nc1cccc(OC)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 502.54 | Num_heavy_atoms: | 36 |
| TPSA: | 127.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD21326
Formula: C12H15ON2F
Smiles:
CC(=O)N1CCN(c2ccc(F)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.26 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD45546
Formula: C9H12O2N2
Smiles:
CN=C(O)Nc1cccc(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.21 | Num_heavy_atoms: | 13 |
| TPSA: | 53.85 | NumAromaticRings: | 1 |
