Glycoside
GD146164
Name:
3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-3-yl]oxy}-8-hydroxy-6-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C26H28O14Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(OC3(O)COCC3(O)CO)cc(OC3OC(CO)C(O)C(O)C3O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=OSugarmoiety:
OCC1(O)COCC1(O)O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00700
Formula: C15H10O5
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
