Glycoside
GD002985
Name:
NoneFormula:
C20H28O8N2Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCC=CCOC(=O)NCc1ccccc1Aglycone:
O=C(NCc1ccccc1)OCC=CCOSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 146.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD02770
Formula: C12H15O3N
Smiles:
O=C(NCc1ccccc1)OCC=CCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 221.26 | Num_heavy_atoms: | 16 |
| TPSA: | 58.56 | NumAromaticRings: | 1 |
