Glycoside
GD021037
Name:
NoneFormula:
C19H19O4N2Cl3Smiles:
CCCCOC[C@@H]1OC(n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
CCCCOC.ClC1=Nc2cc(Cl)c(Cl)cc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.7 | Num_heavy_atoms: | 25 |
| TPSA: | 76.74 | 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 |
AD03703
Formula: C5H12O
Smiles:
CCCCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
