Glycoside
GD138060
Name:
Sublanceoside F4Formula:
C47H72O19Smiles:
COC1CC(OC2CC3=CCC4=C5OC6COC7(C)OCC5(CCC4C3(C)CC2O)C67)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1Aglycone:
CC12OCC3OC4=C5CC=C6CC(O)C(O)CC6(C)C5CCC4(CO1)C32Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 19 | RingCount: | 10 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 941.07 | Num_heavy_atoms: | 66 |
| TPSA: | 241.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD50412
Formula: C21H28O5
Smiles:
CC12OCC3OC4=C5CC=C6CC(O)C(O)CC6(C)C5CCC4(CO1)C32| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
