Glycoside
GD031791
Name:
NoneFormula:
C35H50O14Smiles:
C=C[C@@](C)(O)CCC=C(C)C(=O)O[C@@]12C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]1[C@]1(C)O[C@H]1[C@H]2OC(=O)C(C)=CCCC(C)=CCOAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC12C=COC(O)C1C1(C)OC1C2OC(=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
AD20458
Formula: C29H40O9
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC12C=COC(O)C1C1(C)OC1C2OC(=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 |
