Glycoside
GD119488
Name:
NoneFormula:
C57H94O27SSmiles:
CC(C)CC(=O)CC(C)C1CCC2C3CC(OC4OC(C)C(O)(O)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CAglycone:
CC(C)CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CSugarmoiety:
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(C)C4(O)O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.95 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 17 |
| MolWt: | 1243.42 | Num_heavy_atoms: | 85 |
| TPSA: | 415.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD08065
Formula: C27H44O6S
Smiles:
CC(C)CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.71 | Num_heavy_atoms: | 34 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
Sugarmoiety
SD05458
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(C)C4(O)O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O