Glycoside
GD081452
Name:
NoneFormula:
C21H28O7N2Smiles:
CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]12Aglycone:
CC(=O)N1CCC2(c3ccccc3)CCNCC12Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 138.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD36679
Formula: C15H20ON2
Smiles:
CC(=O)N1CCC2(c3ccccc3)CCNCC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.34 | Num_heavy_atoms: | 18 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
