Glycoside
GD011918
Name:
NoneFormula:
C21H20O5N2S2Smiles:
N#Cc1ccc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Cc1ncc(-c2ccsc2)s1Aglycone:
N#Cc1ccccc1Cc1ncc(-c2ccsc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.53 | Num_heavy_atoms: | 30 |
| TPSA: | 126.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD09034
Formula: C15H10N2S2
Smiles:
N#Cc1ccccc1Cc1ncc(-c2ccsc2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.39 | Num_heavy_atoms: | 19 |
| TPSA: | 36.68 | NumAromaticRings: | 3 |
