Glycoside
GD001052
Name:
NoneFormula:
C16H15O4N5SSmiles:
N#Cc1c(-c2cccs2)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
N#CC1=C(c2cccs2)[N]c2ncnc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 373.39 | Num_heavy_atoms: | 26 |
| TPSA: | 150.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD01095
Formula: C11H6N5S
Smiles:
N#CC1=C(c2cccs2)[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.27 | Num_heavy_atoms: | 17 |
| TPSA: | 89.69 | NumAromaticRings: | 2 |
