Glycoside
GD061796
Name:
NoneFormula:
C14H15O5N3SSmiles:
N#Cc1cnc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c2sccc12Aglycone:
N#Cc1cnc(N)c2sccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 337.36 | Num_heavy_atoms: | 23 |
| TPSA: | 138.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD30222
Formula: C8H5N3S
Smiles:
N#Cc1cnc(N)c2sccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 175.22 | Num_heavy_atoms: | 12 |
| TPSA: | 62.7 | NumAromaticRings: | 2 |
