Glycoside
GD085136
Name:
NoneFormula:
C22H32O6N2Smiles:
O=C[C@H](N[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
NC1CCC2CN(C(=O)c3ccccc3)CCC2C1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.51 | Num_heavy_atoms: | 30 |
| TPSA: | 130.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD38087
Formula: C16H22ON2
Smiles:
NC1CCC2CN(C(=O)c3ccccc3)CCC2C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.37 | Num_heavy_atoms: | 19 |
| TPSA: | 46.33 | NumAromaticRings: | 1 |
