Glycoside
GD092132
Name:
NoneFormula:
C22H36O8NSmiles:
C[C@@H]1O[C@@H](OCC[NH2+]C[C@@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)c1ccc(C(=O)OCC(O)C[NH2+]CCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 442.53 | Num_heavy_atoms: | 31 |
| TPSA: | 142.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD40224
Formula: C16H26O4N
Smiles:
CC(C)(C)c1ccc(C(=O)OCC(O)C[NH2+]CCO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 296.39 | Num_heavy_atoms: | 21 |
| TPSA: | 83.37 | NumAromaticRings: | 1 |
