Glycoside
GD138703
Name:
4-ethyl-1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C22H22O9Smiles:
CCc1cc(OC2OC(CO)C(O)C(O)C2O)c(O)c2c1C(=O)c1ccccc1C2=OAglycone:
CCc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD55959
Formula: C16H12O4
Smiles:
CCc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
