Glycoside
GD118698
Name:
11-DeoxyisochiisanosideFormula:
C48H76O19Smiles:
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(CCC4C5(C)C(CC(=O)O)OC(C)(C)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C(CC(=O)O)OC(C)(C)C5CCC43C)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: | 8 |
| HBD: | 10 | FractionCSP3: | 0.92 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 11 |
| MolWt: | 957.12 | Num_heavy_atoms: | 67 |
| TPSA: | 301.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD21940
Formula: C30H46O5
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C(CC(=O)O)OC(C)(C)C5CCC43C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
