Glycoside
GD032455
Name:
NoneFormula:
C11H13O4N9Smiles:
Nc1ncnc2c1c(-c1nnn[nH]1)nn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1nnn[nH]1)=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 335.28 | Num_heavy_atoms: | 24 |
| TPSA: | 194.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD20818
Formula: C6H4N9
Smiles:
Nc1ncnc2c1C(c1nnn[nH]1)=N[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.16 | Num_heavy_atoms: | 15 |
| TPSA: | 132.72 | NumAromaticRings: | 2 |
