Glycoside
GD025921
Name:
NoneFormula:
C20H23O5N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4(O)CCCc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
OC1(Nc2ncnc3c2N=C[N]3)CCCc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 413.43 | Num_heavy_atoms: | 30 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD17128
Formula: C15H14ON5
Smiles:
OC1(Nc2ncnc3c2N=C[N]3)CCCc2ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 280.31 | Num_heavy_atoms: | 21 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
