Glycoside
GD115076
Name:
9-methyl-3,6-dimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetateFormula:
C23H30O10Smiles:
C=C1CC(OC(C)=O)C2C(=C)C(=O)OC2C2C(C)=C(OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
C=C1CC(OC(C)=O)C2C(=C)C(=O)OC2C2C(C)=C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.48 | Num_heavy_atoms: | 33 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45458
Formula: C17H20O5
Smiles:
C=C1CC(OC(C)=O)C2C(=C)C(=O)OC2C2C(C)=C(O)CC12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.34 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
