Glycoside
GD135767
Name:
4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,4-dihydroquinoline-2-carboxylic acidFormula:
C16H17O9NSmiles:
O=C(O)c1cc(O)c2cccc(OC3OC(CO)C(O)C(O)C3O)c2n1Aglycone:
O=C(O)c1cc(O)c2cccc(O)c2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.31 | Num_heavy_atoms: | 26 |
| TPSA: | 169.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD54893
Formula: C10H7O4N
Smiles:
O=C(O)c1cc(O)c2cccc(O)c2n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.17 | Num_heavy_atoms: | 15 |
| TPSA: | 90.65 | NumAromaticRings: | 2 |
