Glycoside
GD016869
Name:
NoneFormula:
C28H28O6NClSmiles:
O=C(NCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1)c1ccccc1Aglycone:
O=C(NCc1ccc(Cc2ccccc2Cl)cc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 497.98 | Num_heavy_atoms: | 35 |
| TPSA: | 119.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD12094
Formula: C22H18ONCl
Smiles:
O=C(NCc1ccc(Cc2ccccc2Cl)cc1)c1ccccc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.83 | Num_heavy_atoms: | 24 |
| TPSA: | 29.1 | NumAromaticRings: | 3 |
