Glycoside
GD157930
Name:
Eupteleasaponin XiiFormula:
C52H82O21Smiles:
C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(OC7OCC(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(CO)OC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.9 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 1043.21 | Num_heavy_atoms: | 73 |
| TPSA: | 333.67 | 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 |
