Glycoside
GD031787
Name:
NoneFormula:
C22H26O5N2Smiles:
CCc1ccc(Cc2c3ccccc3nn2[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCc1ccc(CC2=c3ccccc3=N[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.46 | Num_heavy_atoms: | 29 |
| TPSA: | 107.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD20456
Formula: C16H15N2
Smiles:
CCc1ccc(CC2=c3ccccc3=N[N]2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 235.31 | Num_heavy_atoms: | 18 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
