Glycoside
GD033982
Name:
NoneFormula:
C12H16O6N6Smiles:
Nc1ncnc2c1nc(NCC(=O)O)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(NCC(=O)O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.3 | Num_heavy_atoms: | 24 |
| TPSA: | 188.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD21651
Formula: C7H7O2N6
Smiles:
Nc1ncnc2c1N=C(NCC(=O)O)[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 207.17 | Num_heavy_atoms: | 15 |
| TPSA: | 127.59 | NumAromaticRings: | 1 |
