Glycoside
GD013373
Name:
SIMPLEXOSIDEFormula:
C26H30O11Smiles:
COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 145.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD09988
Formula: C20H20O6
Smiles:
COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 66.38 | NumAromaticRings: | 2 |
