Glycoside
GD117943
Name:
2-hydroxy-3-(pyridin-3-yloxy)butanedioic acidFormula:
C9H9O6NSmiles:
O=C(O)C(O)C(Oc1cccnc1)C(=O)OAglycone:
c1ccncc1Sugarmoiety:
O=C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 227.17 | Num_heavy_atoms: | 16 |
| TPSA: | 116.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD04713
Formula: C5H5N
Smiles:
c1ccncc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 79.1 | Num_heavy_atoms: | 6 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
