Glycoside
GD085199
Name:
NoneFormula:
C19H20O5N6Smiles:
COc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C#NAglycone:
COc1ccc(CNc2ncnc3c2N=C[N]3)cc1C#NSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.41 | Num_heavy_atoms: | 30 |
| TPSA: | 158.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD38113
Formula: C14H11ON6
Smiles:
COc1ccc(CNc2ncnc3c2N=C[N]3)cc1C#N| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 279.28 | Num_heavy_atoms: | 21 |
| TPSA: | 97.29 | NumAromaticRings: | 2 |
