Glycoside
GD147148
Name:
3,6-dimethyl-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetateFormula:
C23H30O11Smiles:
CC(=O)OC1CC(C)=C2C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C2C2OC(=O)C(C)C12Aglycone:
CC(=O)OC1CC(C)=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.48 | Num_heavy_atoms: | 34 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD58939
Formula: C17H20O6
Smiles:
CC(=O)OC1CC(C)=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.34 | Num_heavy_atoms: | 23 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
