Glycoside
GD117224
Name:
5-ethenyl-4a,5-dimethyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl 6-hydroxy-2,6-dimethylocta-2,7-dienoateFormula:
C28H40O12Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C)C(=COC(OC3OC(CO)C(O)C(O)C3O)C2(C)C=C)C(=O)O1Aglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C)C(=COC(O)C2(C)C=C)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 568.62 | Num_heavy_atoms: | 40 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD46704
Formula: C22H30O7
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C)C(=COC(O)C2(C)C=C)C(=O)O1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.48 | Num_heavy_atoms: | 29 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
