Glycoside
GD082490
Name:
NoneFormula:
C19H28O7N3Smiles:
O=C(C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@@H]21)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
c1ccc(NC2C[NH2+]CC3CCCOC32)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.45 | Num_heavy_atoms: | 29 |
| TPSA: | 157.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD37061
Formula: C13H20ON3
Smiles:
c1ccc(NC2C[NH2+]CC3CCCOC32)nc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.32 | Num_heavy_atoms: | 17 |
| TPSA: | 50.76 | NumAromaticRings: | 1 |
