Glycoside
GD076359
Name:
NoneFormula:
C18H21O7N3Smiles:
C#CCOc1ccc(OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
C#CCOc1ccc(OCC2=C[N]N=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.38 | Num_heavy_atoms: | 28 |
| TPSA: | 139.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD35226
Formula: C12H10O2N3
Smiles:
C#CCOc1ccc(OCC2=C[N]N=N2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 228.23 | Num_heavy_atoms: | 17 |
| TPSA: | 57.28 | NumAromaticRings: | 1 |
