Glycoside
GD078103
Name:
NoneFormula:
C18H20O6N4Smiles:
COc1cc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(Nc2ncnc3c2C=C[N]3)ccc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.38 | Num_heavy_atoms: | 28 |
| TPSA: | 142.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD35806
Formula: C13H11O2N4
Smiles:
COc1cc(Nc2ncnc3c2C=C[N]3)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 255.26 | Num_heavy_atoms: | 19 |
| TPSA: | 81.37 | NumAromaticRings: | 2 |
