Glycoside
GD115901
Name:
6'-O-Beta-D-GlucopyranosylmorronisideFormula:
C23H36O16Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C(C)OC(O)CC12Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(O)CC12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -4.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.53 | Num_heavy_atoms: | 39 |
| TPSA: | 243.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00332
Formula: C11H16O6
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(O)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
