Glycoside
GD123985
Name:
Kalidiumoside CFormula:
C41H62O14Smiles:
COC(=O)CC(=O)OCC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)OC)C5CCC43C)C2C1Aglycone:
COC(=O)CC(=O)OCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)OC)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 778.93 | Num_heavy_atoms: | 55 |
| TPSA: | 215.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD50062
Formula: C35H52O9
Smiles:
COC(=O)CC(=O)OCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)OC)C5CCC43C)C2C1| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 616.79 | Num_heavy_atoms: | 44 |
| TPSA: | 136.43 | NumAromaticRings: | 0 |
