Glycoside
GD133999
Name:
3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propyl 2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C24H26O11Smiles:
O=C1OC(CCCOC(=O)c2cccc(OC3OC(CO)C(O)C(O)C3O)c2O)c2ccccc21Aglycone:
O=C1OC(CCCOC(=O)c2cccc(O)c2O)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.46 | Num_heavy_atoms: | 35 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD54210
Formula: C18H16O6
Smiles:
O=C1OC(CCCOC(=O)c2cccc(O)c2O)c2ccccc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.32 | Num_heavy_atoms: | 24 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
