Glycoside
GD021686
Name:
ArgyliosideFormula:
C31H44O18Smiles:
C[C@@H]1CCC2C(C(=O)O[C@@H]3C4C=CO[C@H](OC5OC(CO)C(O)C(O)C5O)C4[C@]4(CO)O[C@H]34)=CO[C@H](OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1CCC2C(C(=O)OC3C4C=COC(O)C4C4(CO)OC34)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.84 |
| AlogP: | -4.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 704.68 | Num_heavy_atoms: | 49 |
| TPSA: | 276.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD14778
Formula: C19H24O8
Smiles:
CC1CCC2C(C(=O)OC3C4C=COC(O)C4C4(CO)OC34)=COC(O)C12| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.39 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 0 |
