Glycoside
GD082508
Name:
NoneFormula:
C20H31O7N2Smiles:
O=C(CN1CCC([NH2+][C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1)OCc1ccccc1Aglycone:
[NH3+]C1CCN(CC(=O)OCc2ccccc2)CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 411.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD37065
Formula: C14H21O2N2
Smiles:
[NH3+]C1CCN(CC(=O)OCc2ccccc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 249.33 | Num_heavy_atoms: | 18 |
| TPSA: | 57.18 | NumAromaticRings: | 1 |
