Glycoside
GD137695
Name:
4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroquinoline-2-carboxylic acidFormula:
C16H17O9NSmiles:
O=C(O)C1=Nc2c(OC3OC(CO)C(O)C(O)C3O)cccc2C(=O)C1Aglycone:
O=C(O)C1=Nc2c(O)cccc2C(=O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.31 | Num_heavy_atoms: | 26 |
| TPSA: | 166.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD55618
Formula: C10H7O4N
Smiles:
O=C(O)C1=Nc2c(O)cccc2C(=O)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.17 | Num_heavy_atoms: | 15 |
| TPSA: | 86.96 | NumAromaticRings: | 1 |
