Glycoside
GD082681
Name:
NoneFormula:
C20H31O7N2Smiles:
O=C[C@H]([NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
[NH3+]C1CCN(CC(=O)OCc2ccccc2)CC1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 411.48 | Num_heavy_atoms: | 29 |
| TPSA: | 144.14 | 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 |
