Glycoside
GD151022
Name:
3,4,5-trihydroxy-6-[(2-hydroxyquinolin-4-yl)oxy]oxane-2-carboxylic acidFormula:
C15H15O8NSmiles:
O=C(O)C1OC(Oc2cc(O)nc3ccccc23)C(O)C(O)C1OAglycone:
Oc1cc(O)c2ccccc2n1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 337.28 | Num_heavy_atoms: | 24 |
| TPSA: | 149.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD60271
Formula: C9H7O2N
Smiles:
Oc1cc(O)c2ccccc2n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 53.35 | NumAromaticRings: | 2 |
