Glycoside
GD044925
Name:
NoneFormula:
C11H12O6N4Smiles:
N#Cc1cnc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cn1Aglycone:
N#Cc1cnc(N)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 296.24 | Num_heavy_atoms: | 21 |
| TPSA: | 176.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD25138
Formula: C5H4N4
Smiles:
N#Cc1cnc(N)cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 120.11 | Num_heavy_atoms: | 9 |
| TPSA: | 75.59 | NumAromaticRings: | 1 |
