Glycoside
GD021078
Name:
NoneFormula:
C18H13O5N2Cl3Smiles:
CC(=O)OC1[C@H](OC(C)=O)CO[C@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21Aglycone:
ClC1=Nc2cc(Cl)c(Cl)cc2[N]1Sugarmoiety:
CC(=O)OC1COC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 407.64 | Num_heavy_atoms: | 25 |
| TPSA: | 79.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD01803
Formula: C10H2N2Cl3
Smiles:
ClC1=Nc2cc(Cl)c(Cl)cc2[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.47 | Num_heavy_atoms: | 12 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
