Glycoside
GD146588
Name:
Acankoreoside EFormula:
C48H76O20Smiles:
CC(C=O)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12Aglycone:
CC(C=O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 973.12 | Num_heavy_atoms: | 68 |
| TPSA: | 329.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD58766
Formula: C30H46O6
Smiles:
CC(C=O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 111.9 | NumAromaticRings: | 0 |
