Glycoside
GD044698
Name:
NoneFormula:
C13H18O6N2Smiles:
COC(=O)[C@@H](NNc1ccccc1)C(=O)[C@@H](O)[C@@H](O)COAglycone:
COC(=O)CNNc1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 298.3 | Num_heavy_atoms: | 21 |
| TPSA: | 128.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD25074
Formula: C9H12O2N2
Smiles:
COC(=O)CNNc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 180.21 | Num_heavy_atoms: | 13 |
| TPSA: | 50.36 | NumAromaticRings: | 1 |
