Glycoside
GD028712
Name:
Kouitchenside EFormula:
C28H34O16Smiles:
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c2c(=O)c3c(OC)c(OC)cc(OC)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(OC)c(OC)cc(OC)c3oc2c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 225.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD18729
Formula: C17H16O7
Smiles:
COc1cc(O)c2c(=O)c3c(OC)c(OC)cc(OC)c3oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
