Glycoside
GD142832
Name:
Eupteleasaponin IvFormula:
C57H90O24Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(OC8OC(C)C(OC9OCC(O)C(O)C9O)C(O)C8O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(OC3C(O)COC(O)C3O)OC(CO)C(OC3OC(C)C(OC4OCC(O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.91 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 1159.32 | Num_heavy_atoms: | 81 |
| TPSA: | 372.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD05107
Formula: C29H44O3
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 440.67 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD08892
CC1OC(OC2C(OC3C(O)COC(O)C3O)OC(CO)C(OC3OC(C)C(OC4OCC(O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O