Glycoside
GD032340
Name:
NoneFormula:
C21H18O6NCl3Smiles:
CCC(=O)c1c(Cl)n(C2O[C@H](COC(C)=O)[C@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12Aglycone:
CCC(=O)c1c(Cl)[nH]c2cc(Cl)c(Cl)cc12.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.7 | Num_heavy_atoms: | 28 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
