Glycoside
GD014947
Name:
NoneFormula:
C20H20O7N2Smiles:
N#CNC(=O)c1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
N#CNC(=O)c1ccc(-c2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.39 | Num_heavy_atoms: | 29 |
| TPSA: | 152.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD10937
Formula: C14H10O2N2
Smiles:
N#CNC(=O)c1ccc(-c2ccc(O)cc2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.25 | Num_heavy_atoms: | 18 |
| TPSA: | 73.12 | NumAromaticRings: | 2 |
