Glycoside
GD037209
Name:
NoneFormula:
C35H50O14Smiles:
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@@]21OC(=O)C(C)=CCCC(C)=CCOAglycone:
CC(=CCO)CCC=C(C)C(=O)OC1C2OC2(C)C2C(O)OC=CC12OC(=O)C(C)=CCCC(C)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 15 |
| MolWt: | 694.77 | Num_heavy_atoms: | 49 |
| TPSA: | 214.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD23453
Formula: C29H40O9
Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1C2OC2(C)C2C(O)OC=CC12OC(=O)C(C)=CCCC(C)=CCO| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 532.63 | Num_heavy_atoms: | 38 |
| TPSA: | 135.05 | NumAromaticRings: | 0 |
