Glycoside
GD126948
Name:
Eupteleasaponin ViiFormula:
C53H82O22Smiles:
C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5C5OC5C4(OC2=O)C3C1Aglycone:
C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 11 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 1071.22 | Num_heavy_atoms: | 75 |
| TPSA: | 335.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD44942
Formula: C29H42O4
Smiles:
C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1| HBA: | 4 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 454.65 | Num_heavy_atoms: | 33 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
