Glycoside
GD048479
Name:
NoneFormula:
C13H18O7N2Smiles:
COc1cncc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1Aglycone:
COc1cncc(CN)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD25903
Formula: C7H10ON2
Smiles:
COc1cncc(CN)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
