Glycoside
GD141119
Name:
2-[5-({[(3-chlorophenyl)methyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-oneFormula:
C24H29O4N4ClSmiles:
O=C(CC1OC(CNCc2cccc(Cl)c2)C(O)C1O)N1CCN(c2ccccn2)CC1Aglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CNCc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.96 | Num_heavy_atoms: | 32 |
| TPSA: | 98.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD01294
Formula: C9H10NCl
Smiles:
CNCc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.63 | Num_heavy_atoms: | 10 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD36294
Formula: C11H15ON3
Smiles:
CC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
