Glycoside
GD044972
Name:
NoneFormula:
C12H17O7NSmiles:
O=C1C=C(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCC1Aglycone:
NC1=CC(=O)CCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 287.27 | Num_heavy_atoms: | 20 |
| TPSA: | 144.16 | NumAromaticRings: | 0 |
Unique Aglycone
AD25152
Formula: C6H9ON
Smiles:
NC1=CC(=O)CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.14 | Num_heavy_atoms: | 8 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
