Glycoside
GD071808
Name:
NoneFormula:
C17H27O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCC[NH+]4CCOCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCC[NH+]2CCOCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.44 | Num_heavy_atoms: | 28 |
| TPSA: | 139.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD33726
Formula: C12H18ON6
Smiles:
C1=Nc2c(ncnc2NCCC[NH+]2CCOCC2)[N]1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 262.32 | Num_heavy_atoms: | 19 |
| TPSA: | 77.94 | NumAromaticRings: | 1 |
