Glycoside
GD001804
Name:
NoneFormula:
C14H17O6N3Smiles:
N#Cc1ccc(C(=NO)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
N#Cc1ccc(C(N)=NO)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.31 | Num_heavy_atoms: | 23 |
| TPSA: | 158.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD01767
Formula: C8H7ON3
Smiles:
N#Cc1ccc(C(N)=NO)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 82.4 | NumAromaticRings: | 1 |
