Glycoside
GD015216
Name:
Yadanzioside AFormula:
C32H44O16Smiles:
COC(=O)[C@]12OC[C@@]34[C@H](C[C@@H]5[C@H](C)C(=O)C(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)=C[C@@]5(C)[C@H]3[C@H](O)[C@H]1O)OC(=O)[C@@H](OC(=O)CC(C)C)[C@@H]24Aglycone:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)C)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 684.69 | Num_heavy_atoms: | 48 |
| TPSA: | 245.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD11078
Formula: C26H34O11
Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)C)C24| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 165.89 | NumAromaticRings: | 0 |
