Glycoside
GD018148
Name:
NoneFormula:
C25H24O6N2Smiles:
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1Aglycone:
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.48 | Num_heavy_atoms: | 33 |
| TPSA: | 135.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD12855
Formula: C19H14ON2
Smiles:
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.33 | Num_heavy_atoms: | 22 |
| TPSA: | 56.65 | NumAromaticRings: | 3 |
