Glycoside
GD147469
Name:
NoneFormula:
C57H94O29SSmiles:
CC(C)C(O)C(=O)CC(C)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OC(CO)C(OC6OC(CO)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)C(O)C(=O)CC(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(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -3.46 | Num_rotatable_bonds: | 19 |
| MolWt: | 1275.42 | Num_heavy_atoms: | 87 |
| TPSA: | 456.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD03647
Formula: C27H44O7S
Smiles:
CC(C)C(O)C(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.71 | Num_heavy_atoms: | 35 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
Sugarmoiety
SD05826
CC1OC(OC2C(OC3C(CO)OC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O