Glycoside
GD023247
Name:
NoneFormula:
C19H21O5N3Smiles:
NC(=O)c1ncn(C2O[C@H](CO)[C@H](O)[C@H]2O)c1C#CCCc1ccccc1Aglycone:
NC(=O)C1=C(C#CCCc2ccccc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 371.39 | Num_heavy_atoms: | 27 |
| TPSA: | 130.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD15658
Formula: C14H12ON3
Smiles:
NC(=O)C1=C(C#CCCc2ccccc2)[N]C=N1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 69.55 | NumAromaticRings: | 1 |
