Glycoside
GD117606
Name:
Pleurostimin 7-GlucosideFormula:
C22H22O13Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)c(O)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12Aglycone:
COc1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.41 | Num_heavy_atoms: | 35 |
| TPSA: | 219.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD46915
Formula: C16H12O8
Smiles:
COc1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
