Glycoside
GD156040
Name:
4-hydroxy-3-methyl-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:
C20H26O10Smiles:
CC1C(=O)OC2C3C(COC4OC(CO)C(O)C(O)C4O)=CC(=O)C3=CCC(O)C12Aglycone:
CC1C(=O)OC2C3C(CO)=CC(=O)C3=CCC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD61825
Formula: C14H16O5
Smiles:
CC1C(=O)OC2C3C(CO)=CC(=O)C3=CCC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
