Glycoside
GD048777
Name:
NoneFormula:
C12H17O7N3Smiles:
COc1ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)nn1Aglycone:
COc1ccc(CN)nn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 315.28 | Num_heavy_atoms: | 22 |
| TPSA: | 162.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD25962
Formula: C6H9ON3
Smiles:
COc1ccc(CN)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 61.03 | NumAromaticRings: | 1 |
