Glycoside
GD143793
Name:
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(2,3,4-trihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)-4H-chromen-4-oneFormula:
C27H30O14Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(C3CC(OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(O)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(C3CC(O)C(O)C(O)C3O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 250.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD57811
Formula: C21H20O9
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(C3CC(O)C(O)C(O)C3O)c(O)cc(O)c12| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 171.82 | NumAromaticRings: | 3 |
