Glycoside
GD055504
Name:
NoneFormula:
C15H19O6N3Smiles:
Cn1cc2cccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2n1Aglycone:
Cn1cc2cccc(CN)c2n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 337.33 | Num_heavy_atoms: | 24 |
| TPSA: | 144.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD28069
Formula: C9H11N3
Smiles:
Cn1cc2cccc(CN)c2n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.21 | Num_heavy_atoms: | 12 |
| TPSA: | 43.84 | NumAromaticRings: | 2 |
