Glycoside
GD134636
Name:
NoneFormula:
C60H100O27SSmiles:
CCC(C(C)C)C1CC1C(C)(O)C1CCC2C3CC(OC4OC(CO)C(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=CCC21CAglycone:
CCC(C(C)C)C1CC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CSugarmoiety:
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(CO)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: | 10 |
| HBD: | 14 | FractionCSP3: | 0.97 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 18 |
| MolWt: | 1285.5 | Num_heavy_atoms: | 88 |
| TPSA: | 418.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD54459
Formula: C30H50O6S
Smiles:
CCC(C(C)C)C1CC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 538.79 | Num_heavy_atoms: | 37 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
Sugarmoiety
SD00644
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(CO)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O