Glycoside
GD140417
Name:
3,5-dihydroxy-2-(2-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)phenyl 3,4-dihydroxybenzoateFormula:
C21H22O13Smiles:
O=C(Cc1c(O)cc(O)cc1OC(=O)c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)Cc1c(O)cc(O)cc1OC(=O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.39 | Num_heavy_atoms: | 34 |
| TPSA: | 223.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD56623
Formula: C15H12O8
Smiles:
O=C(O)Cc1c(O)cc(O)cc1OC(=O)c1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.25 | Num_heavy_atoms: | 23 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
