Glycoside
GD031840
Name:
StryspinosideFormula:
C21H28O12Smiles:
COC(=O)C1=CO[C@@H]2C[C@H]1C[C@H]1C(C(=O)OC)=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]21Aglycone:
COC(=O)C1=COC2CC1CC1C(C(=O)OC)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.44 | Num_heavy_atoms: | 33 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD20482
Formula: C15H18O7
Smiles:
COC(=O)C1=COC2CC1CC1C(C(=O)OC)=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.3 | Num_heavy_atoms: | 22 |
| TPSA: | 91.29 | NumAromaticRings: | 0 |
