Glycoside
GD063422
Name:
NoneFormula:
C16H23O7N2Smiles:
Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1Aglycone:
Cc1c[nH+]ccc1OC1CCNC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 355.37 | Num_heavy_atoms: | 25 |
| TPSA: | 141.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD30550
Formula: C10H15ON2
Smiles:
Cc1c[nH+]ccc1OC1CCNC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.24 | Num_heavy_atoms: | 13 |
| TPSA: | 35.4 | NumAromaticRings: | 1 |
