Glycoside
GD143281
Name:
Marinoid DFormula:
C25H30O14Smiles:
COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(OC4OC(CO)C(O)C(O)C4O)C23)cc(OC)c1OAglycone:
COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O)C23)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.5 | Num_heavy_atoms: | 39 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD57639
Formula: C19H20O9
Smiles:
COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O)C23)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.36 | Num_heavy_atoms: | 28 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
