Glycoside
GD073287
Name:
NoneFormula:
C18H23O6N3Smiles:
Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc2)n1Aglycone:
Cc1cc(C)n(-c2ccc(CN)cc2)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 377.4 | Num_heavy_atoms: | 27 |
| TPSA: | 144.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD34005
Formula: C12H15N3
Smiles:
Cc1cc(C)n(-c2ccc(CN)cc2)n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 201.27 | Num_heavy_atoms: | 15 |
| TPSA: | 43.84 | NumAromaticRings: | 2 |
