Glycoside
GD025154
Name:
NoneFormula:
C25H36O13Smiles:
CC(=CCO)CCC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@]2(CO)[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(CO)C2C(O)OC=CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 544.55 | Num_heavy_atoms: | 38 |
| TPSA: | 208.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD16711
Formula: C19H26O8
Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1C2OC2(CO)C2C(O)OC=CC12O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 382.41 | Num_heavy_atoms: | 27 |
| TPSA: | 128.98 | NumAromaticRings: | 0 |
