Glycoside
GD008134
Name:
NoneFormula:
C22H22O4N6Smiles:
OC[C@@H]1O[C@H](n2c(Nc3ccccc3)nc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1ccc(NC2=Nc3c(ncnc3Nc3ccccc3)[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.46 | Num_heavy_atoms: | 32 |
| TPSA: | 137.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD06536
Formula: C17H13N6
Smiles:
c1ccc(NC2=Nc3c(ncnc3Nc3ccccc3)[N]2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.33 | Num_heavy_atoms: | 23 |
| TPSA: | 76.3 | NumAromaticRings: | 3 |
