Glycoside
GD018151
Name:
NoneFormula:
C23H22O7N2Smiles:
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1Aglycone:
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.44 | Num_heavy_atoms: | 32 |
| TPSA: | 149.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD04717
Formula: C17H12O2N2
Smiles:
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.3 | Num_heavy_atoms: | 21 |
| TPSA: | 69.79 | NumAromaticRings: | 3 |
