Glycoside
GD134668
Name:
2-(4-{[3,4-dihydroxy-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]oxy}phenyl)-5,7-dimethoxy-4H-chromen-4-oneFormula:
C28H32O14Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(OC4OCC(O)(COC5OC(CO)C(O)C(O)C5O)C4O)cc3)oc2c1Aglycone:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OCC1OC(OCC2(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 206.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD49242
Formula: C17H14O5
Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
