Glycoside
GD133169
Name:
3-hydroxy-1-methoxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9,10-dihydroanthracene-9,10-dioneFormula:
C22H22O10Smiles:
COc1c(COC2OC(CO)C(O)C(O)C2O)c(O)cc2c1C(=O)c1ccccc1C2=OAglycone:
COc1c(CO)c(O)cc2c1C(=O)c1ccccc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD53911
Formula: C16H12O5
Smiles:
COc1c(CO)c(O)cc2c1C(=O)c1ccccc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
