Glycoside
GD012720
Name:
4-hydroxy-3,9-dimethyl-6-methylidene-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-2-oneFormula:
C21H30O9Smiles:
C=C1C[C@H](O)[C@@H]2[C@H](C)C(=O)O[C@H]2[C@@H]2C(C)=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@H]12Aglycone:
C=C1CC(O)C2C(C)C(=O)OC2C2C(C)=C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD09559
Formula: C15H20O4
Smiles:
C=C1CC(O)C2C(C)C(=O)OC2C2C(C)=C(O)CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
