Glycoside
GD092018
Name:
NoneFormula:
C20H27O4N6SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[NH+](CCc5cccs5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CC[NH+](CCc3cccs3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.54 | Num_heavy_atoms: | 31 |
| TPSA: | 121.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD40161
Formula: C15H18N6S
Smiles:
C1=Nc2c(ncnc2N2CC[NH+](CCc3cccs3)CC2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.42 | Num_heavy_atoms: | 22 |
| TPSA: | 59.92 | NumAromaticRings: | 2 |
