Glycoside
GD120070
Name:
Radiatoside CFormula:
C31H42O18Smiles:
C=C1CCC2C(C(=O)OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
C=C1CCC2C(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: | 0.77 |
| AlogP: | -4.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 702.66 | Num_heavy_atoms: | 49 |
| TPSA: | 276.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD48189
Formula: C19H22O8
Smiles:
C=C1CCC2C(C(=O)OC3C4C=COC(O)C4C4(CO)OC34)=COC(O)C12| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 0 |
