Glycoside
GD013318
Name:
NoneFormula:
C23H26O6NClSmiles:
CNc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1Aglycone:
CNc1ccc(Cc2ccc3c(c2Cl)OCC3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.9 | Num_heavy_atoms: | 30 |
| TPSA: | 111.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD09960
Formula: C17H16ONCl
Smiles:
CNc1ccc(Cc2ccc3c(c2Cl)OCC3)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.76 | Num_heavy_atoms: | 19 |
| TPSA: | 21.26 | NumAromaticRings: | 2 |
