Glycoside
GD127740
Name:
6-methyl-3-methylidene-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:
C23H28O11Smiles:
C=C1C(=O)OC2C3C(COC4OC(CO)C(O)C(O)C4O)=CC(=O)C3=C(C)CC(OC(C)=O)C12Aglycone:
C=C1C(=O)OC2C3C(CO)=CC(=O)C3=C(C)CC(OC(C)=O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD51741
Formula: C17H18O6
Smiles:
C=C1C(=O)OC2C3C(CO)=CC(=O)C3=C(C)CC(OC(C)=O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
