Glycoside
GD072703
Name:
NoneFormula:
C19H26O7N2Smiles:
O=C(C(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1ccc(OCC23CCCC2CNC3)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 394.42 | Num_heavy_atoms: | 28 |
| TPSA: | 140.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD33856
Formula: C13H18ON2
Smiles:
c1ccc(OCC23CCCC2CNC3)nc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.3 | Num_heavy_atoms: | 16 |
| TPSA: | 34.15 | NumAromaticRings: | 1 |
