Glycoside
GD154037
Name:
2-[3,4-dihydroxy-5-({4-[(methylamino)methyl]-1H-1,2,3-triazol-1-yl}methyl)oxolan-2-yl]-1-(4-phenylpiperazin-1-yl)ethan-1-oneFormula:
C21H30O4N6Smiles:
CNCc1cn(CC2OC(CC(=O)N3CCN(c4ccccc4)CC3)C(O)C2O)nn1Aglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CNCc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.51 | Num_heavy_atoms: | 31 |
| TPSA: | 115.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD13408
Formula: C5H10N4
Smiles:
CNCc1cn(C)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.16 | Num_heavy_atoms: | 9 |
| TPSA: | 42.74 | NumAromaticRings: | 1 |
AD21283
Formula: C12H16ON2
Smiles:
CC(=O)N1CCN(c2ccccc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
