Glycoside
GD020045
Name:
NoneFormula:
C24H38O12N2Smiles:
CC(C)(C)[N+]([O-])=Cc1ccc(CNC(=O)[C@H](O)[C@H](O)C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)cc1Aglycone:
CC(C)(C)[N+]([O-])=Cc1ccc(C[NH])cc1Sugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 546.57 | Num_heavy_atoms: | 38 |
| TPSA: | 235.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD06849
Formula: C12H17ON2
Smiles:
CC(C)(C)[N+]([O-])=Cc1ccc(C[NH])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.28 | Num_heavy_atoms: | 15 |
| TPSA: | 49.87 | NumAromaticRings: | 1 |
