Glycoside
GD001053
Name:
NoneFormula:
C16H15O5N5Smiles:
N#Cc1c(-c2ccco2)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
N#CC1=C(c2ccco2)[N]c2ncnc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.33 | Num_heavy_atoms: | 26 |
| TPSA: | 163.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD01096
Formula: C11H6ON5
Smiles:
N#CC1=C(c2ccco2)[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 224.2 | Num_heavy_atoms: | 17 |
| TPSA: | 102.83 | NumAromaticRings: | 2 |
