Glycoside
GD157098
Name:
(1S,3S)-Austrocortilutein 8-O-Î’-D-GentiobiosideFormula:
C28H36O16Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1)C(=O)C1=C(C2=O)C(O)CC(C)(O)C1Aglycone:
COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)C(O)CC(C)(O)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 628.58 | Num_heavy_atoms: | 44 |
| TPSA: | 262.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD62145
Formula: C16H16O6
Smiles:
COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)C(O)CC(C)(O)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
