Glycoside
GD116102
Name:
NoneFormula:
C51H84O24SSmiles:
CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)(O)C(OC5OC(C)C(OC6OC(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)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(O)C(O)OC(C)C3(O)O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 15 |
| MolWt: | 1113.28 | Num_heavy_atoms: | 76 |
| TPSA: | 377.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD00012
Formula: C27H44O7S
Smiles:
CC(C)CC(=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: | 4.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.71 | Num_heavy_atoms: | 35 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
