Glycoside
GD078877
Name:
NoneFormula:
C20H22O6N2Smiles:
Cc1ccc(C#N)cc1Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(C#N)cc1Nc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 135.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD36240
Formula: C14H12ON2
Smiles:
Cc1ccc(C#N)cc1Nc1ccc(O)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.26 | Num_heavy_atoms: | 17 |
| TPSA: | 56.05 | NumAromaticRings: | 2 |
