Glycoside
GD129039
Name:
1-(7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,3-benzodioxol-5-yl)propan-1-oneFormula:
C16H20O9Smiles:
CCC(=O)c1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)OCO2Aglycone:
CCC(=O)c1cc(O)c2c(c1)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.33 | Num_heavy_atoms: | 25 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD52266
Formula: C10H10O4
Smiles:
CCC(=O)c1cc(O)c2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
