Glycoside
GD118665
Name:
NoneFormula:
C57H94O27SSmiles:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(C)OC(OC4CC5C(=CCC6(C)C5CCC6C(C)(O)C(=O)CCC(C)C)C5(C)CCC(OS(=O)(=O)O)CC45)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C1OAglycone:
CC(C)CCC(=O)C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CSugarmoiety:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.95 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 18 |
| MolWt: | 1243.42 | Num_heavy_atoms: | 85 |
| TPSA: | 404.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD06132
Formula: C27H44O7S
Smiles:
CC(C)CCC(=O)C(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 |
Sugarmoiety
SD05277
COC1C(O)C(C)OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C1O