Glycoside
GD128294
Name:
NoneFormula:
C57H92O27SSmiles:
CC(=CC(=O)CC(C)C)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OC(CO)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(=CC(=O)CC(C)C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CSugarmoiety:
CC1OC(OC2C(OC3C(CO)OC(OC4C(O)C(C)OC(O)C4O)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: | 0.91 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 17 |
| MolWt: | 1241.4 | Num_heavy_atoms: | 85 |
| TPSA: | 415.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD11010
Formula: C27H42O6S
Smiles:
CC(=CC(=O)CC(C)C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.69 | Num_heavy_atoms: | 34 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
Sugarmoiety
SD01745
CC1OC(OC2C(OC3C(CO)OC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O