Glycoside
GD129089
Name:
Argeloside KFormula:
C54H86O21Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C6C7COC6(C)OC54O7)C3)CC2OC)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1Aglycone:
CC12OCC3OC4(O1)C1CC=C5CC(O)CCC5(C)C1CCC4(C)C32Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 21 | RingCount: | 11 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 14 |
| MolWt: | 1071.26 | Num_heavy_atoms: | 75 |
| TPSA: | 248.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD17343
Formula: C21H30O4
Smiles:
CC12OCC3OC4(O1)C1CC=C5CC(O)CCC5(C)C1CCC4(C)C32| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 346.47 | Num_heavy_atoms: | 25 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
Sugarmoiety
SD02553
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1