Glycoside
GD131935
Name:
NoneFormula:
C24H32O5N4Smiles:
COc1ccccc1N1CCN(C(=O)CC2OC(CNCc3ccccn3)C(O)C2O)CC1Aglycone:
CNCc1ccccn1.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 456.54 | Num_heavy_atoms: | 33 |
| TPSA: | 107.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD20141
Formula: C7H10N2
Smiles:
CNCc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
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 |
