Glycoside
GD083762
Name:
NoneFormula:
C18H20O6N6Smiles:
CC(=O)n1ncc2ccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc21Aglycone:
CC(=O)n1ncc2ccc(NC3=C(C(N)=O)N=C[N]3)cc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.39 | Num_heavy_atoms: | 30 |
| TPSA: | 177.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD37342
Formula: C13H11O2N6
Smiles:
CC(=O)n1ncc2ccc(NC3=C(C(N)=O)N=C[N]3)cc21| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 283.27 | Num_heavy_atoms: | 21 |
| TPSA: | 116.47 | NumAromaticRings: | 2 |
