Glycoside
GD117641
Name:
Hovetrichoside HFormula:
C36H54O12Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C(=O)O)C(CCC4C5(C)C(C(=O)O)C(O)C(C)(C)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C(=O)O)C(CCC4C5(C)C(C(=O)O)C(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 678.82 | Num_heavy_atoms: | 48 |
| TPSA: | 211.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD46934
Formula: C30H44O7
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C(=O)O)C(CCC4C5(C)C(C(=O)O)C(O)C(C)(C)C5CCC43C)C12| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 132.13 | NumAromaticRings: | 0 |
