Glycoside
GD116339
Name:
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl)methyl 8-hydroxy-2,6-dimethylocta-2,6-dienoateFormula:
C25H36O11Smiles:
CC(=CCO)CCC=C(C)C(=O)OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=CCO)CCC=C(C)C(=O)OCC1=CC(O)C2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 512.55 | Num_heavy_atoms: | 36 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46178
Formula: C19H26O6
Smiles:
CC(=CCO)CCC=C(C)C(=O)OCC1=CC(O)C2C=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 350.41 | Num_heavy_atoms: | 25 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
