Glycoside
GD146054
Name:
NoneFormula:
C56H92O26SSmiles:
C=C(CC(O)CC(C)C)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(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:
C=C(CC(O)CC(C)C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.93 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 17 |
| MolWt: | 1213.39 | Num_heavy_atoms: | 83 |
| TPSA: | 398.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD58591
Formula: C27H44O6S
Smiles:
C=C(CC(O)CC(C)C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.71 | Num_heavy_atoms: | 34 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
Sugarmoiety
SD00730
CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O