Glycoside
GD018934
Name:
NoneFormula:
C22H28O4N2Cl2Smiles:
O=C(NC1CCCCCC1)[C@@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]1OAglycone:
CNCc1ccc(Cl)c(Cl)c1.O=CNC1CCCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.36 | Num_heavy_atoms: | 28 |
| TPSA: | 90.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00764
Formula: C10H9NCl2
Smiles:
CNCc1ccc(Cl)c(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.07 | Num_heavy_atoms: | 11 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD13270
Formula: C8H15ON
Smiles:
O=CNC1CCCCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 141.21 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
