Glycoside
GD132846
Name:
1-hydroxy-3-(4-hydroxybutyl)-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C25H28O11Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CCCCO)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CCCCO)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 504.49 | Num_heavy_atoms: | 36 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD53782
Formula: C19H18O6
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CCCCO)cc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.35 | Num_heavy_atoms: | 25 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
