Glycoside
GD153170
Name:
GlobulariosideFormula:
C25H29O11ClSmiles:
O=C(C=Cc1ccccc1)OCC1(O)C(Cl)C(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
O=C(C=Cc1ccccc1)OCC1(O)C(Cl)C(O)C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.94 | Num_heavy_atoms: | 36 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD60941
Formula: C19H19O6Cl
Smiles:
O=C(C=Cc1ccccc1)OCC1(O)C(Cl)C(O)C2C=COC(O)C21| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.8 | Num_heavy_atoms: | 25 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
