Glycoside
GD090441
Name:
NoneFormula:
C21H30O8N2Smiles:
CC(C)(C)OC(=O)N1CCc2cc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)ccc2C1Aglycone:
CC(C)(C)OC(=O)N1CCc2cc(CN)ccc2C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.48 | Num_heavy_atoms: | 31 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD39350
Formula: C15H22O2N2
Smiles:
CC(C)(C)OC(=O)N1CCc2cc(CN)ccc2C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.35 | Num_heavy_atoms: | 19 |
| TPSA: | 55.56 | NumAromaticRings: | 1 |
