Glycoside
GD129432
Name:
3,4,5-trihydroxy-6-(quinolin-7-yloxy)oxane-2-carboxylic acidFormula:
C15H15O7NSmiles:
O=C(O)C1OC(Oc2ccc3cccnc3c2)C(O)C(O)C1OAglycone:
Oc1ccc2cccnc2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.29 | Num_heavy_atoms: | 23 |
| TPSA: | 129.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD52432
Formula: C9H7ON
Smiles:
Oc1ccc2cccnc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.16 | Num_heavy_atoms: | 11 |
| TPSA: | 33.12 | NumAromaticRings: | 2 |
