Glycoside
GD050907
Name:
NoneFormula:
C14H13O6N3Smiles:
N#Cc1cccc(-c2noc(C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n2)c1Aglycone:
N#Cc1cccc(-c2ncon2)c1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 319.27 | Num_heavy_atoms: | 23 |
| TPSA: | 160.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD26765
Formula: C9H5ON3
Smiles:
N#Cc1cccc(-c2ncon2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.16 | Num_heavy_atoms: | 13 |
| TPSA: | 62.71 | NumAromaticRings: | 2 |
