Glycoside
GD076270
Name:
NoneFormula:
C18H17O6N5Smiles:
N#CCc1nn(-c2ccccc2)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1C#NAglycone:
N#CCc1nn(-c2ccccc2)c(N)c1C#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 399.36 | Num_heavy_atoms: | 29 |
| TPSA: | 192.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD35199
Formula: C12H9N5
Smiles:
N#CCc1nn(-c2ccccc2)c(N)c1C#N| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.24 | Num_heavy_atoms: | 17 |
| TPSA: | 91.42 | NumAromaticRings: | 2 |
