Glycoside
GD026890
Name:
NoneFormula:
C28H34O13Smiles:
COc1cc([C@@H]2OC[C@@H]3[C@H](c4cc(OC)c5c(c4)OCO5)OC[C@H]23)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1OCAglycone:
COc1cc(C2OCC3C(c4cc(OC)c5c(c4)OCO5)OCC23)cc(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 578.57 | Num_heavy_atoms: | 41 |
| TPSA: | 163.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD17703
Formula: C22H24O8
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c5c(c4)OCO5)OCC23)cc(O)c1OC| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.43 | Num_heavy_atoms: | 30 |
| TPSA: | 84.84 | NumAromaticRings: | 2 |
