Glycoside
GD082820
Name:
NoneFormula:
C17H23O9N3Smiles:
C#CCC(Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)(C(=O)OC)C(=O)OCAglycone:
C#CCC(CC1=C[N]N=N1)(C(=O)OC)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.38 | Num_heavy_atoms: | 29 |
| TPSA: | 173.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD37110
Formula: C11H12O4N3
Smiles:
C#CCC(CC1=C[N]N=N1)(C(=O)OC)C(=O)OC| HBA: | 7 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 250.23 | Num_heavy_atoms: | 18 |
| TPSA: | 91.42 | NumAromaticRings: | 0 |
