Glycoside
GD133346
Name:
HeterodontosideFormula:
C20H30O11Smiles:
COc1ccc(CCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(CCO)cc1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.45 | Num_heavy_atoms: | 31 |
| TPSA: | 167.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD10706
Formula: C9H12O2
Smiles:
COc1ccc(CCO)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
