Glycoside
GD076351
Name:
NoneFormula:
C17H20O6N4Smiles:
N#Cc1ccc(-c2cn(CCO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)cc1Aglycone:
N#Cc1ccc(-c2cn(CCO)nn2)cc1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 376.37 | Num_heavy_atoms: | 27 |
| TPSA: | 153.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD35222
Formula: C11H10ON4
Smiles:
N#Cc1ccc(-c2cn(CCO)nn2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.23 | Num_heavy_atoms: | 16 |
| TPSA: | 74.73 | NumAromaticRings: | 2 |
