Glycoside
GD123838
Name:
NoneFormula:
C56H92O27SSmiles:
CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OCC(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=CCC21CAglycone:
CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CSugarmoiety:
CC1OC(OC2C(OC3COC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.95 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 17 |
| MolWt: | 1229.39 | Num_heavy_atoms: | 84 |
| TPSA: | 415.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD00003
Formula: C28H46O7S
Smiles:
CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 526.74 | Num_heavy_atoms: | 36 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
Sugarmoiety
SD05308
CC1OC(OC2C(OC3COC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OCC(O)C2O)C(O)C(O)C1O