Glycoside
GD135049
Name:
InermosideFormula:
C49H78O19Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CC(O)C4C(C)(CCC(=O)OC)C(C(=C)C)CCC43C)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C(C)(CCC(=O)OC)C(C(=C)C)CCC43C)C12Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 13 |
| MolWt: | 971.14 | Num_heavy_atoms: | 68 |
| TPSA: | 301.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD54623
Formula: C31H48O5
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C(C)(CCC(=O)OC)C(C(=C)C)CCC43C)C12| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
