Glycoside
GD118129
Name:
NoneFormula:
C18H27O5N3Smiles:
COc1ccccc1N1CCN(C(=O)CC2OC(CN)C(O)C2O)CC1Aglycone:
COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 365.43 | Num_heavy_atoms: | 26 |
| TPSA: | 108.49 | NumAromaticRings: | 1 |
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 |
