Glycoside
GD123557
Name:
3-(3,3-Dichloro-2-Hydroxylpropyl)-6-Methoxy-8-O-Î’-D-Glucopyranosyl-1H-Isochromen-1-OneFormula:
C21H22O10Cl2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)oc(CC(O)C(Cl)Cl)cc2c1Aglycone:
COc1cc(O)c2c(=O)oc(CC(O)C(Cl)Cl)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 481.28 | Num_heavy_atoms: | 31 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD49881
Formula: C15H12O5Cl2
Smiles:
COc1cc(O)c2c(=O)oc(CC(O)C(Cl)Cl)cc2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 319.14 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
