Glycoside
GD018933
Name:
NoneFormula:
C22H28O4N2Cl2Smiles:
O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1O[C@H](CNC2CCCCCC2)[C@H](O)[C@H]1OAglycone:
CNC1CCCCCC1.O=CNCc1ccc(Cl)c(Cl)c1Sugarmoiety:
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
AD03159
Formula: C8H17N
Smiles:
CNC1CCCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.23 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
AD13269
Formula: C10H7ONCl2
Smiles:
O=CNCc1ccc(Cl)c(Cl)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.06 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
