Glycoside
GD146959
Name:
1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)propane-1,3-dioneFormula:
C21H22O12Smiles:
O=C(CC(=O)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O)c1ccc(O)c(O)c1Aglycone:
O=C(CC(=O)c1c(O)cc(O)cc1O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 214.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD58880
Formula: C15H12O7
Smiles:
O=C(CC(=O)c1c(O)cc(O)cc1O)c1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
