Glycoside
GD015906
Name:
NoneFormula:
C14H15O4N3SSmiles:
C#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(SC)c12Aglycone:
C#CC1=C[N]c2ncnc(SC)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.36 | Num_heavy_atoms: | 22 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD11505
Formula: C9H6N3S
Smiles:
C#CC1=C[N]c2ncnc(SC)c21| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.23 | Num_heavy_atoms: | 13 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
