Glycoside
GD007967
Name:
NoneFormula:
C19H16O5NCl3Smiles:
CCC(=O)c1c(Cl)n(C2O[C@H](CO)[C@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12Aglycone:
CCC(=O)c1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.67 | Num_heavy_atoms: | 25 |
| TPSA: | 91.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD06421
Formula: C14H8ONCl3
Smiles:
CCC(=O)c1c(Cl)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.55 | Num_heavy_atoms: | 16 |
| TPSA: | 32.86 | NumAromaticRings: | 2 |
