Glycoside
GD085121
Name:
NoneFormula:
C18H20O6N6Smiles:
COc1ccc(C/N=N/c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(CN=NC2=Nc3c(nc[nH]c3=O)[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.39 | Num_heavy_atoms: | 30 |
| TPSA: | 167.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD38081
Formula: C13H11O2N6
Smiles:
COc1ccc(CN=NC2=Nc3c(nc[nH]c3=O)[N]2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 283.27 | Num_heavy_atoms: | 21 |
| TPSA: | 106.16 | NumAromaticRings: | 2 |
