Glycoside
GD116799
Name:
1-hydroxy-2-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}-9,10-dihydroanthracene-9,10-dioneFormula:
C26H28O13Smiles:
O=C1c2ccccc2C(=O)c2c1ccc(COC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)c2OAglycone:
O=C1c2ccccc2C(=O)c2c1ccc(CO)c2OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD13444
Formula: C15H10O4
Smiles:
O=C1c2ccccc2C(=O)c2c1ccc(CO)c2O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
