Glycoside
GD075733
Name:
NoneFormula:
C18H27O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[NH+](CC5CC5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CC[NH+](CC3CC3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.45 | Num_heavy_atoms: | 28 |
| TPSA: | 121.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD35079
Formula: C13H18N6
Smiles:
C1=Nc2c(ncnc2N2CC[NH+](CC3CC3)CC2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.33 | Num_heavy_atoms: | 19 |
| TPSA: | 59.92 | NumAromaticRings: | 1 |
