Glycoside
GD107414
Name:
ArctiinFormula:
C27H34O11Smiles:
COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(OC)c2)cc1OCAglycone:
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 153.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD12673
Formula: C21H24O6
Smiles:
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
