Glycoside
GD154334
Name:
6-{[6-(carboxyoxy)-4,5-dihydroxy-2-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C28H28O19Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(OC(=O)O)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OSugarmoiety:
O=C(O)OC1OC(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 668.51 | Num_heavy_atoms: | 47 |
| TPSA: | 301.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD04393
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
