Glycoside
GD120469
Name:
5-hydroxy-6-(4-hydroxybutyl)-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C26H28O11Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(CCCCO)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(CCCCO)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.5 | Num_heavy_atoms: | 37 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD48402
Formula: C20H18O7
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(CCCCO)c(O)c1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 121.13 | NumAromaticRings: | 2 |
