Glycoside
GD122234
Name:
Eupteleasaponin XFormula:
C42H66O14Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C(=O)O)CCC6(C(=O)O)CCC45C)C3(C)C)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD14065
Formula: C30H46O5
Smiles:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
