Glycoside
GD029881
Name:
NoneFormula:
C22H19O8NClSmiles:
O=C([O-])c1ccc2c(ccn2-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c1Aglycone:
O=C([O-])c1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.84 | Num_heavy_atoms: | 31 |
| TPSA: | 144.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD19384
Formula: C16H9O3NCl
Smiles:
O=C([O-])c1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.69 | Num_heavy_atoms: | 20 |
| TPSA: | 65.29 | NumAromaticRings: | 3 |
