Glycoside
GD139750
Name:
2-methyl 7-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-2,7-dicarboxylateFormula:
C30H30O14Smiles:
COC(=O)C1Oc2cc(C(=O)OCc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)ccc2OC1c1ccc(O)c(O)c1Aglycone:
COC(=O)C1Oc2cc(C(=O)OCc3ccc(O)cc3)ccc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 614.56 | Num_heavy_atoms: | 44 |
| TPSA: | 210.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD56355
Formula: C24H20O9
Smiles:
COC(=O)C1Oc2cc(C(=O)OCc3ccc(O)cc3)ccc2OC1c1ccc(O)c(O)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.42 | Num_heavy_atoms: | 33 |
| TPSA: | 131.75 | NumAromaticRings: | 3 |
