Glycoside
GD133811
Name:
4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoateFormula:
C26H38O12Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1(C)CCC2(O)C(C=O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=CCO)CCC=C(C)C(=O)OC1(C)CCC2(O)C(C=O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 542.58 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD54142
Formula: C20H28O7
Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1(C)CCC2(O)C(C=O)=COC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 380.44 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
