Glycoside
GD033698
Name:
8-O-Î’-D-Glucopyranosyl-6-Methyl-1-Carboxylate Methyl Ester XanthoneFormula:
C22H22O10Smiles:
COC(=O)c1cccc2oc3cc(C)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c(=O)c12Aglycone:
COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 155.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD21490
Formula: C16H12O5
Smiles:
COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 76.74 | NumAromaticRings: | 3 |
