Glycoside
GD158098
Name:
3-(3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-methoxyphenyl)prop-2-enoic acidFormula:
C17H22O9Smiles:
COc1cc(C=CC(=O)O)cc(OC2OC(CO)C(OC)C(O)C2O)c1Aglycone:
COc1cc(O)cc(C=CC(=O)O)c1Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 370.35 | Num_heavy_atoms: | 26 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD62434
Formula: C10H10O4
Smiles:
COc1cc(O)cc(C=CC(=O)O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
