Glycoside
GD082010
Name:
NoneFormula:
C18H20O5N6Smiles:
CNC(=O)c1cc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccn1Aglycone:
CNC(=O)c1cc(Nc2ncnc3c2C=C[N]3)ccn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.4 | Num_heavy_atoms: | 29 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD36822
Formula: C13H11ON6
Smiles:
CNC(=O)c1cc(Nc2ncnc3c2C=C[N]3)ccn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 267.27 | Num_heavy_atoms: | 20 |
| TPSA: | 93.9 | NumAromaticRings: | 2 |
