Glycoside
GD123018
Name:
6,9-dimethyl-3-methylidene-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dioneFormula:
C21H26O9Smiles:
C=C1C(=O)OC2C3C(C)=CC(=O)C3=C(C)CC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
C=C1C(=O)OC2C3C(C)=CC(=O)C3=C(C)CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD49622
Formula: C15H16O4
Smiles:
C=C1C(=O)OC2C3C(C)=CC(=O)C3=C(C)CC(O)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
