Glycoside
GD012958
Name:
NoneFormula:
C12H13O5N3Smiles:
N#Cc1ncn(C2O[C@H](CO)[C@H](O)[C@H]2O)c1C#CCOAglycone:
N#CC1=C(C#CCO)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 279.25 | Num_heavy_atoms: | 20 |
| TPSA: | 131.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD09726
Formula: C7H4ON3
Smiles:
N#CC1=C(C#CCO)[N]C=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.13 | Num_heavy_atoms: | 11 |
| TPSA: | 70.48 | NumAromaticRings: | 0 |
