Glycoside
GD092013
Name:
NoneFormula:
C23H30O6N3Smiles:
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.51 | Num_heavy_atoms: | 32 |
| TPSA: | 134.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD40159
Formula: C17H22N3
Smiles:
Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.38 | Num_heavy_atoms: | 20 |
| TPSA: | 33.7 | NumAromaticRings: | 2 |
