Glycoside
GD005487
Name:
NoneFormula:
C17H17O5N3Smiles:
NC(=O)c1ncn(C2O[C@H](CO)[C@H](O)[C@H]2O)c1C#Cc1ccccc1Aglycone:
NC(=O)C1=C(C#Cc2ccccc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.34 | Num_heavy_atoms: | 25 |
| TPSA: | 130.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD04663
Formula: C12H8ON3
Smiles:
NC(=O)C1=C(C#Cc2ccccc2)[N]C=N1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.22 | Num_heavy_atoms: | 16 |
| TPSA: | 69.55 | NumAromaticRings: | 1 |
