Glycoside
GD029751
Name:
NoneFormula:
C25H18O5N2Cl2Smiles:
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1=OAglycone:
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 473.31 | Num_heavy_atoms: | 32 |
| TPSA: | 115.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD14248
Formula: C20H10ON2Cl2
Smiles:
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)[nH]c1=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 341.2 | Num_heavy_atoms: | 23 |
| TPSA: | 56.65 | NumAromaticRings: | 3 |
