Glycoside
GD140579
Name:
Lycoperoside AFormula:
C52H85O23NSmiles:
CC(=O)OC1CC(C)CNC12OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC(=O)OC1CC(C)CNC12OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | -3.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 1092.24 | Num_heavy_atoms: | 76 |
| TPSA: | 364.16 | NumAromaticRings: | 0 |
Unique Aglycone
AD56681
Formula: C29H47O4N
Smiles:
CC(=O)OC1CC(C)CNC12OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 473.7 | Num_heavy_atoms: | 34 |
| TPSA: | 67.79 | NumAromaticRings: | 0 |
