Glycoside
GD001323
Name:
NoneFormula:
C25H25O12ClSmiles:
COc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)oc2c1OCAglycone:
COc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3O)oc2c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.91 | Num_heavy_atoms: | 37 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD01356
Formula: C19H15O7Cl
Smiles:
COc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3O)oc2c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 378.76 | Num_heavy_atoms: | 26 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
