Glycoside
GD001085
Name:
NoneFormula:
C16H21O5N5Smiles:
CCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCC(O)C#Cc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.37 | Num_heavy_atoms: | 26 |
| TPSA: | 159.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD01132
Formula: C11H12ON5
Smiles:
CCCC(O)C#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.25 | Num_heavy_atoms: | 17 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
