Glycoside
GD006534
Name:
1-hydroxy-3-(hydroxymethyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C21H20O10Smiles:
O=C1c2cc(CO)cc(O)c2C(=O)c2c(O[C@@H]3OC(CO)[C@H](O)[C@H](O)[C@H]3O)cccc21Aglycone:
O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD05397
Formula: C15H10O5
Smiles:
O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
