Glycoside
GD050808
Name:
NoneFormula:
C14H16O6N2Smiles:
N#CCc1cccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1Aglycone:
N#CCc1cccc(N)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD26744
Formula: C8H8N2
Smiles:
N#CCc1cccc(N)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.17 | Num_heavy_atoms: | 10 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
