Glycoside
GD119790
Name:
1,4-dihydroxy-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dioneFormula:
C25H26O14Smiles:
O=C1c2ccccc2C(=O)c2c(O)c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)cc(O)c21Aglycone:
O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 550.47 | Num_heavy_atoms: | 39 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD48051
Formula: C14H8O5
Smiles:
O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.21 | Num_heavy_atoms: | 19 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
