Glycoside
GD076361
Name:
NoneFormula:
C20H21O6N3Smiles:
C#Cc1cc(C#C)cc(-c2cn(CCO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)c1Aglycone:
C#Cc1cc(C#C)cc(-c2cn(CCO)nn2)c1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 399.4 | Num_heavy_atoms: | 29 |
| TPSA: | 130.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD35228
Formula: C14H11ON3
Smiles:
C#Cc1cc(C#C)cc(-c2cn(CCO)nn2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.26 | Num_heavy_atoms: | 18 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
