Glycoside
GD145619
Name:
Yadanzioside BFormula:
C32H44O17Smiles:
CCC(C)C(=O)OC1C(=O)OC2CC3C(C)=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C(O)C3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14Aglycone:
CCC(C)C(=O)OC1C(=O)OC2CC3C(C)=C(O)C(=O)C(O)C3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 700.69 | Num_heavy_atoms: | 49 |
| TPSA: | 265.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD58434
Formula: C26H34O12
Smiles:
CCC(C)C(=O)OC1C(=O)OC2CC3C(C)=C(O)C(=O)C(O)C3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
