Glycoside
GD051169
Name:
NoneFormula:
C13H17O5N4Smiles:
CC(=O)O[C@H]1[C@H](CO)O[C@H](n2ccc3c(N)[nH+]cnc32)[C@@H]1OAglycone:
Nc1[nH+]cnc2c1C=C[N]2Sugarmoiety:
CC(=O)OC1C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.3 | Num_heavy_atoms: | 22 |
| TPSA: | 133.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD24858
Formula: C6H6N4
Smiles:
Nc1[nH+]cnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.14 | Num_heavy_atoms: | 10 |
| TPSA: | 67.15 | NumAromaticRings: | 1 |
