Glycoside
GD133025
Name:
3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl 3,4-dihydroxybenzoateFormula:
C19H20O11Smiles:
O=C(Oc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)c1ccc(O)c(O)c1Aglycone:
O=C(Oc1ccc(O)c(O)c1)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.36 | Num_heavy_atoms: | 30 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD53852
Formula: C13H10O6
Smiles:
O=C(Oc1ccc(O)c(O)c1)c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.22 | Num_heavy_atoms: | 19 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
