Glycoside
GD089053
Name:
NoneFormula:
C22H22O6N4Smiles:
Cc1ccc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1C#Cc1cnc2cccnn12Aglycone:
Cc1ccc(C(N)=O)cc1C#Cc1cnc2cccnn12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 438.44 | Num_heavy_atoms: | 32 |
| TPSA: | 149.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD38915
Formula: C16H12ON4
Smiles:
Cc1ccc(C(N)=O)cc1C#Cc1cnc2cccnn12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.3 | Num_heavy_atoms: | 21 |
| TPSA: | 73.28 | NumAromaticRings: | 3 |
