Glycoside
GD098993
Name:
NoneFormula:
C22H35O9N2Smiles:
CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 15 |
| MolWt: | 471.53 | Num_heavy_atoms: | 33 |
| TPSA: | 167.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD42139
Formula: C16H27O3N2
Smiles:
CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 295.4 | Num_heavy_atoms: | 21 |
| TPSA: | 65.99 | NumAromaticRings: | 1 |
