Glycoside
GD154877
Name:
RadiatosideFormula:
C31H44O19Smiles:
CC1(O)CCC2C(C(=O)OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)CCC2C(C(=O)OC3C4C=COC(O)C4C4(CO)OC34)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.84 |
| AlogP: | -5.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 720.67 | Num_heavy_atoms: | 50 |
| TPSA: | 296.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD61473
Formula: C19H24O9
Smiles:
CC1(O)CCC2C(C(=O)OC3C4C=COC(O)C4C4(CO)OC34)=COC(O)C21| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 138.21 | NumAromaticRings: | 0 |
