Glycoside
GD078835
Name:
NoneFormula:
C19H18O6N4Smiles:
C#CCOc1cccc(Oc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
C#CCOc1cccc(Oc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.38 | Num_heavy_atoms: | 29 |
| TPSA: | 131.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD36219
Formula: C14H9O2N4
Smiles:
C#CCOc1cccc(Oc2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 265.25 | Num_heavy_atoms: | 20 |
| TPSA: | 70.7 | NumAromaticRings: | 2 |
