Glycoside
GD121425
Name:
Pratialin BFormula:
C32H48O18Smiles:
CC=CC#CC#CC(O)C(C=CCCCO)OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC=CC#CC#CC(O)C(O)C=CCCCOSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.75 |
| AlogP: | -5.91 | Num_rotatable_bonds: | 14 |
| MolWt: | 720.72 | Num_heavy_atoms: | 50 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48211
Formula: C14H18O3
Smiles:
CC=CC#CC#CC(O)C(O)C=CCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 234.29 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
