Glycoside
GD130531
Name:
8-hydroxy-3-methoxy-2,6-dimethyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C23H24O10Smiles:
COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1C)C(=O)c1c(O)cc(C)cc1C2=OAglycone:
COc1cc2c(c(O)c1C)C(=O)c1c(O)cc(C)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.44 | Num_heavy_atoms: | 33 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD52897
Formula: C17H14O5
Smiles:
COc1cc2c(c(O)c1C)C(=O)c1c(O)cc(C)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
