Glycoside
GD150606
Name:
Zygophyloside QFormula:
C42H70O17SSmiles:
CC1C(COC2OC(CO)C(O)C(O)C2O)=CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(COS(=O)(=O)O)C5CCC43C)C12Aglycone:
CC1C(CO)=CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(COS(=O)(=O)O)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 879.07 | Num_heavy_atoms: | 60 |
| TPSA: | 282.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD57668
Formula: C30H50O7S
Smiles:
CC1C(CO)=CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(COS(=O)(=O)O)C5CCC43C)C12| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 554.79 | Num_heavy_atoms: | 38 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
