Glycoside
GD151085
Name:
Xanthorin 8-O-Î’-D-GentiobiosideFormula:
C28H32O16Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1O)C(=O)c1cc(C)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1O)C(=O)c1cc(C)cc(O)c1C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 262.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD60296
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(c1O)C(=O)c1cc(C)cc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
