Glycoside
GD010992
Name:
NoneFormula:
C13H18O6N6Smiles:
Nc1ncnc2c1nc(NCCC(=O)O)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(NCCC(=O)O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.32 | Num_heavy_atoms: | 25 |
| TPSA: | 188.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD08428
Formula: C8H9O2N6
Smiles:
Nc1ncnc2c1N=C(NCCC(=O)O)[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 221.2 | Num_heavy_atoms: | 16 |
| TPSA: | 127.59 | NumAromaticRings: | 1 |
