Glycoside
GD128048
Name:
8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-oneFormula:
C27H30O16Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)c3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD48098
Formula: C16H12O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
