Glycoside
GD036863
Name:
NoneFormula:
C19H26O9N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](Cn2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@H]1OAglycone:
Cn1cc(CO)nn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | -4.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.46 | Num_heavy_atoms: | 36 |
| TPSA: | 249.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD12033
Formula: C4H7ON3
Smiles:
Cn1cc(CO)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
