Glycoside
GD024103
Name:
NIAZIRININFormula:
C16H19O6NSmiles:
CC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2ccc(CC#N)cc2)[C@H](O)[C@H]1OAglycone:
N#CCc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 321.33 | Num_heavy_atoms: | 23 |
| TPSA: | 109.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD01036
Formula: C8H7ON
Smiles:
N#CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
