Glycoside
GD066962
Name:
NoneFormula:
C16H25O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCC[NH+]4CCCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC[NH+]2CCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.41 | Num_heavy_atoms: | 26 |
| TPSA: | 129.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD32008
Formula: C11H16N6
Smiles:
C1=Nc2c(ncnc2NCC[NH+]2CCCC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.29 | Num_heavy_atoms: | 17 |
| TPSA: | 68.71 | NumAromaticRings: | 1 |
