Glycoside
GD125701
Name:
Argeloside NFormula:
C55H86O22Smiles:
COC1=C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(OC)C4O)C(C)O3)C(C)O2)C(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C5C6COC5(C)OC43O6)C2)C1Aglycone:
COC1=C(O)C(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C5C6COC5(C)OC43O6)C2)C1Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 22 | RingCount: | 11 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 15 |
| MolWt: | 1099.27 | Num_heavy_atoms: | 77 |
| TPSA: | 258.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD50846
Formula: C28H40O7
Smiles:
COC1=C(O)C(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C5C6COC5(C)OC43O6)C2)C1| HBA: | 7 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.62 | Num_heavy_atoms: | 35 |
| TPSA: | 75.61 | NumAromaticRings: | 0 |
