Glycoside
GD150217
Name:
Acantrifoside CFormula:
C50H78O21Smiles:
C=C(CO)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(OC(C)=O)C(C)(C(=O)O)C5CCC43C)C12Aglycone:
C=C(CO)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(C)=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: | 21 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 1015.15 | Num_heavy_atoms: | 71 |
| TPSA: | 338.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD60019
Formula: C32H48O7
Smiles:
C=C(CO)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C(=O)O)C5CCC43C)C12| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
