Glycoside
GD089437
Name:
NoneFormula:
C20H31O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCCC[C@H]4C[NH+]4CCOCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCCCC2C[NH+]2CCOCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.51 | Num_heavy_atoms: | 31 |
| TPSA: | 130.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD39016
Formula: C15H22ON6
Smiles:
C1=Nc2c(ncnc2N2CCCCC2C[NH+]2CCOCC2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.38 | Num_heavy_atoms: | 22 |
| TPSA: | 69.15 | NumAromaticRings: | 1 |
