Glycoside
GD141125
Name:
3-[(3,4-dihydroxy-5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}oxolan-2-yl)methyl]-1-(3-fluorophenyl)ureaFormula:
C25H31O6N4FSmiles:
COc1ccccc1N1CCN(C(=O)CC2OC(CN=C(O)Nc3cccc(F)c3)C(O)C2O)CC1Aglycone:
CN=C(O)Nc1cccc(F)c1.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
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
AD22014
Formula: C13H18O2N2
Smiles:
COc1ccccc1N1CCN(C(C)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
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 |
