Glycoside
GD153560
Name:
NoneFormula:
C57H92O27SSmiles:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(C)OC(OC4CC5C(=CCC6(C)C5CCC6C(C)(O)C(=O)CC=C(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: | 0.91 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 17 |
| MolWt: | 1241.4 | Num_heavy_atoms: | 85 |
| TPSA: | 404.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD61057
Formula: C27H42O7S
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: | 0.81 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.69 | 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