Glycoside
GD114817
Name:
5-hydroxy-6-methyl-3-methylidene-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-2,7-dioneFormula:
C21H26O10Smiles:
C=C1C(=O)OC2C1CC(O)C(C)=C1C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C12Aglycone:
C=C1C(=O)OC2C1CC(O)C(C)=C1C(=O)C=C(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45306
Formula: C15H16O5
Smiles:
C=C1C(=O)OC2C1CC(O)C(C)=C1C(=O)C=C(CO)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
