Glycoside
GD092006
Name:
NoneFormula:
C21H30O7N3Smiles:
COc1cc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](C)CCC[NH3+])c2ncccc2c1Aglycone:
COc1cc(NC(C)CCC[NH3+])c2ncccc2c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 436.49 | Num_heavy_atoms: | 31 |
| TPSA: | 168.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD40158
Formula: C15H22ON3
Smiles:
COc1cc(NC(C)CCC[NH3+])c2ncccc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 260.36 | Num_heavy_atoms: | 19 |
| TPSA: | 61.79 | NumAromaticRings: | 2 |
