Glycoside
GD028894
Name:
4-O-Beta-D-Glucopyranosyl-1,7-DihydroxyxanthoneFormula:
C19H18O10Smiles:
O=c1c2cc(O)ccc2oc2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc(O)c12Aglycone:
O=c1c2cc(O)ccc2oc2c(O)ccc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 406.34 | Num_heavy_atoms: | 29 |
| TPSA: | 170.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD18836
Formula: C13H8O5
Smiles:
O=c1c2cc(O)ccc2oc2c(O)ccc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 244.2 | Num_heavy_atoms: | 18 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
