Glycoside
GD036186
Name:
NoneFormula:
C37H42O18Smiles:
COc1cc(OC)c(C2=C(C)C=C(O)C3C(=O)c4c(O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)cccc4C(=O)C23)c(O)c1C(C)=OAglycone:
COc1cc(OC)c(C2=C(C)C=C(O)C3C(=O)c4c(O)cccc4C(=O)C23)c(O)c1C(C)=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.49 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 774.73 | Num_heavy_atoms: | 55 |
| TPSA: | 288.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD22849
Formula: C25H22O8
Smiles:
COc1cc(OC)c(C2=C(C)C=C(O)C3C(=O)c4c(O)cccc4C(=O)C23)c(O)c1C(C)=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.44 | Num_heavy_atoms: | 33 |
| TPSA: | 130.36 | NumAromaticRings: | 2 |
