Glycoside
GD131191
Name:
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-({2,3,4,5-tetrahydroxy-6-[(2,3,4,6-tetrahydroxy-5-oxohexyl)oxy]hex-5-en-1-yl}oxy)-4H-chromen-4-oneFormula:
C29H34O17Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OCC(O)C(O)C(O)C(O)=COCC(O)C(O)C(O)C(=O)CO)cc3o2)cc(OC)c1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cccc3o2)cc(OC)c1OSugarmoiety:
O=C(CO)C(O)C(O)C(O)COC=C(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 16 |
| MolWt: | 654.57 | Num_heavy_atoms: | 46 |
| TPSA: | 286.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD53159
Formula: C17H14O6
Smiles:
COc1cc(-c2cc(=O)c3c(O)cccc3o2)cc(OC)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
