Glycoside
GD019483
Name:
1-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C20H18O9Smiles:
O=C1c2ccccc2C(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc21Aglycone:
O=C1c2ccccc2C(=O)c2c(O)cc(O)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 402.36 | Num_heavy_atoms: | 29 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD13599
Formula: C14H8O4
Smiles:
O=C1c2ccccc2C(=O)c2c(O)cc(O)cc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 240.21 | Num_heavy_atoms: | 18 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
