Glycoside
GD036778
Name:
NoneFormula:
C17H20O7N4Smiles:
NCCOc1cccc2c1Nc1nc(=O)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc1O2Aglycone:
NCCOc1cccc2c1Nc1nc(=O)[nH]cc1O2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.37 | Num_heavy_atoms: | 28 |
| TPSA: | 161.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD21273
Formula: C12H12O3N4
Smiles:
NCCOc1cccc2c1Nc1nc(=O)[nH]cc1O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 102.26 | NumAromaticRings: | 2 |
