Glycoside
GD091998
Name:
NoneFormula:
C22H29O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[NH+](CCc5ccccc5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CC[NH+](CCc3ccccc3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.51 | Num_heavy_atoms: | 32 |
| TPSA: | 121.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD40155
Formula: C17H20N6
Smiles:
C1=Nc2c(ncnc2N2CC[NH+](CCc3ccccc3)CC2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.39 | Num_heavy_atoms: | 23 |
| TPSA: | 59.92 | NumAromaticRings: | 2 |
