Glycoside
GD139181
Name:
Sokodoside AFormula:
C47H74O21Smiles:
CC(C)C1CCC2=C3CCC4C(C)(C)C(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(C(=O)O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C)C1CCC2=C3CCC4C(C)(C)C(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3OC3OCC(O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.91 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 975.09 | Num_heavy_atoms: | 68 |
| TPSA: | 330.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD56119
Formula: C24H40O
Smiles:
CC(C)C1CCC2=C3CCC4C(C)(C)C(O)CCC4(C)C3CCC21C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 344.58 | Num_heavy_atoms: | 25 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
Sugarmoiety
SD08409
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3OC3OCC(O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O