Glycoside
GD120853
Name:
3,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})quinoline-2-carboxylic acidFormula:
C22H27O14NSmiles:
O=C(O)c1nc2c(OC3OC(CO)C(O)C(O)C3O)cccc2cc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)c1nc2c(O)cccc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 529.45 | Num_heavy_atoms: | 37 |
| TPSA: | 248.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD48592
Formula: C10H7O4N
Smiles:
O=C(O)c1nc2c(O)cccc2cc1O| 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 |
