Glycoside
GD025642
Name:
6-hydroxy-2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoateFormula:
C25H36O12Smiles:
CC(=CCO)CCC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@]2(C)[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC=C[C@@]12OAglycone:
CC(=CCO)CCC=C(C)C(=O)OC1C2OC2(C)C2C(O)OC=CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 528.55 | Num_heavy_atoms: | 37 |
| TPSA: | 187.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD16982
Formula: C19H26O7
Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1C2OC2(C)C2C(O)OC=CC12O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.41 | Num_heavy_atoms: | 26 |
| TPSA: | 108.75 | NumAromaticRings: | 0 |
