Glycoside
GD070311
Name:
NoneFormula:
C18H20O5N4Smiles:
COc1cccc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
COc1cccc(Nc2ncnc3c2C=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.38 | Num_heavy_atoms: | 27 |
| TPSA: | 121.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD33307
Formula: C13H11ON4
Smiles:
COc1cccc(Nc2ncnc3c2C=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 239.26 | Num_heavy_atoms: | 18 |
| TPSA: | 61.14 | NumAromaticRings: | 2 |
