Glycoside
GD126689
Name:
(4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-pyran-2-yl)methyl 4-hydroxybenzoateFormula:
C19H20O11Smiles:
O=C(OCc1occc(=O)c1OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
O=C(OCc1occc(=O)c1O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.36 | Num_heavy_atoms: | 30 |
| TPSA: | 176.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD51277
Formula: C13H10O6
Smiles:
O=C(OCc1occc(=O)c1O)c1ccc(O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.22 | Num_heavy_atoms: | 19 |
| TPSA: | 96.97 | NumAromaticRings: | 2 |
