Glycoside
GD129593
Name:
NoneFormula:
C55H86O22Smiles:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CCC=C(C)C)C8C(OC(C)=O)CC9(C)C7=CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCC=C(C)C)C13Sugarmoiety:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 14 |
| MolWt: | 1099.27 | Num_heavy_atoms: | 77 |
| TPSA: | 317.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD01190
Formula: C32H48O5
Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCC=C(C)C)C13| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 6.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.73 | Num_heavy_atoms: | 37 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
