Glycoside
GD021048
Name:
NoneFormula:
C22H22O7NClSmiles:
COc1ccc2c(ccn2-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c1Aglycone:
COc1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.86 | Num_heavy_atoms: | 30 |
| TPSA: | 113.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD14441
Formula: C16H12O2NCl
Smiles:
COc1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.72 | Num_heavy_atoms: | 19 |
| TPSA: | 34.39 | NumAromaticRings: | 3 |
