Glycoside
GD146543
Name:
2-[1,2-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)propyl]-2-hydroxy-3-oxopropyl 3,4,5-trihydroxybenzoateFormula:
C20H20O14Smiles:
O=CC(O)(COC(=O)c1cc(O)c(O)c(O)c1)C(O)C(O)COC(=O)c1cc(O)c(O)c(O)c1Aglycone:
O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1Sugarmoiety:
O=CC(O)(COO)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.25 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 484.37 | Num_heavy_atoms: | 34 |
| TPSA: | 251.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD02035
Formula: C7H6O4
Smiles:
O=Cc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
