Glycoside
GD077185
Name:
NoneFormula:
C18H21O4N7Smiles:
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Nc1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD01322
Formula: C12H11N6
Smiles:
Nc1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 239.26 | Num_heavy_atoms: | 18 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
